REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3eml_1_A DATA FIRST_RESID 3 DATA SEQUENCE IMGSSVYITV ELAIAVLAIL GNVLVCWAVW LNSNLQNVTN YFVVSLAAAD DATA SEQUENCE IAVGVLAIPF AITISTGFcA AcHGcLFIAC FVLVLTQSSI FSLLAIAIDR DATA SEQUENCE YIAIRIPLRY NGLVTGTRAK GIIAICWVLS FAIGLTPMLG WNNcGQXXXX DATA SEQUENCE XXXSQGcGEG QVAcLFEDVV PMNYMVYFNF FACVLVPLLL MLGVYLRIFL DATA SEQUENCE AARRQLXXXX XXXXXXXXXR STLQKEVHAA KSLAIIVGLF ALCWLPLHII DATA SEQUENCE NCFTFFCPDC SHAPLWLMYL AIVLSHTNSV VNPFIYAYRI REFRQTFRKI DATA SEQUENCE IRSHVLRQXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXN DATA SEQUENCE IFEMLRIDEG LRLKIYKDTE GYYTIGIGHL LTKSPSLNAA KSELDKAIGR DATA SEQUENCE NTNGVITKDE AEKLFNQDVD AAVRGILRNA KLKPVYDSLD AVRRAALINM DATA SEQUENCE VFQMGETGVA GFTNSLRMLQ QKRWDEAAVN LAKSRWYNQT PNRAKRVITT DATA SEQUENCE FRTGTWDAY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.113 176.117 -0.006 0.000 1.063 3 I CA 0.000 61.296 61.300 -0.007 0.000 1.566 3 I CB 0.000 37.995 38.000 -0.008 0.000 1.214 4 M N 2.752 122.350 119.600 -0.004 0.000 2.247 4 M HA 0.325 4.787 4.480 -0.029 0.000 0.326 4 M C 1.362 177.661 176.300 -0.002 0.000 1.134 4 M CA 0.207 55.505 55.300 -0.004 0.000 1.136 4 M CB 1.130 33.729 32.600 -0.002 0.000 1.454 4 M HN 1.004 nan 8.290 nan 0.000 0.467 5 G N 0.077 108.873 108.800 -0.007 0.000 2.848 5 G HA2 -0.041 3.902 3.960 -0.029 0.000 0.208 5 G HA3 -0.041 3.902 3.960 -0.029 0.000 0.208 5 G C 1.173 176.067 174.900 -0.010 0.000 1.152 5 G CA 0.840 45.935 45.100 -0.008 0.000 0.789 5 G HN 0.760 nan 8.290 nan 0.000 0.531 6 S N -1.292 114.405 115.700 -0.005 0.000 2.613 6 S HA 0.105 4.557 4.470 -0.029 0.000 0.235 6 S C 2.072 176.715 174.600 0.070 0.000 1.073 6 S CA 0.822 59.031 58.200 0.014 0.000 0.899 6 S CB 0.128 63.310 63.200 -0.030 0.000 0.818 6 S HN 0.055 nan 8.310 nan 0.000 0.484 7 S N 1.864 117.584 115.700 0.033 0.000 2.442 7 S HA 0.008 4.460 4.470 -0.029 0.000 0.236 7 S C 1.710 176.322 174.600 0.020 0.000 1.007 7 S CA 1.186 59.400 58.200 0.023 0.000 0.965 7 S CB -0.398 62.806 63.200 0.008 0.000 0.773 7 S HN 0.433 nan 8.310 nan 0.000 0.504 8 V N 0.273 120.207 119.914 0.034 0.000 2.346 8 V HA -0.112 3.991 4.120 -0.029 0.000 0.244 8 V C 1.881 178.002 176.094 0.046 0.000 1.037 8 V CA 1.485 63.803 62.300 0.030 0.000 1.029 8 V CB -0.760 31.083 31.823 0.033 0.000 0.663 8 V HN 0.563 nan 8.190 nan 0.000 0.454 9 Y N 0.995 121.271 120.300 -0.040 0.000 2.151 9 Y HA -0.266 4.267 4.550 -0.029 0.000 0.284 9 Y C 2.184 178.069 175.900 -0.025 0.000 1.166 9 Y CA 1.901 59.977 58.100 -0.040 0.000 1.163 9 Y CB -0.284 38.112 38.460 -0.105 0.000 0.974 9 Y HN 0.206 nan 8.280 nan 0.000 0.511 10 I N -0.903 119.595 120.570 -0.120 0.000 2.286 10 I HA -0.273 3.879 4.170 -0.029 0.000 0.245 10 I C 2.201 178.220 176.117 -0.163 0.000 1.104 10 I CA 1.586 62.771 61.300 -0.192 0.000 1.397 10 I CB -0.696 37.283 38.000 -0.034 0.000 1.072 10 I HN 0.212 nan 8.210 nan 0.000 0.417 11 T N 0.767 115.264 114.554 -0.094 0.000 2.674 11 T HA -0.134 4.198 4.350 -0.029 0.000 0.265 11 T C 2.083 176.728 174.700 -0.091 0.000 1.039 11 T CA 1.354 63.410 62.100 -0.073 0.000 1.150 11 T CB -0.406 68.438 68.868 -0.041 0.000 0.864 11 T HN 0.071 nan 8.240 nan 0.000 0.427 12 V N 1.357 121.215 119.914 -0.094 0.000 2.282 12 V HA -0.234 3.868 4.120 -0.029 0.000 0.249 12 V C 2.488 178.511 176.094 -0.118 0.000 1.057 12 V CA 2.058 64.307 62.300 -0.086 0.000 1.032 12 V CB -0.559 31.227 31.823 -0.061 0.000 0.645 12 V HN 0.526 nan 8.190 nan 0.000 0.447 13 E N -0.779 119.296 120.200 -0.209 0.000 2.208 13 E HA -0.152 4.180 4.350 -0.029 0.000 0.193 13 E C 2.030 178.530 176.600 -0.167 0.000 0.988 13 E CA 0.543 56.811 56.400 -0.219 0.000 0.828 13 E CB 0.032 29.494 29.700 -0.396 0.000 0.763 13 E HN 0.390 nan 8.360 nan 0.000 0.478 14 L N 0.263 121.398 121.223 -0.145 0.000 2.109 14 L HA -0.048 4.274 4.340 -0.029 0.000 0.207 14 L C 2.208 179.036 176.870 -0.071 0.000 1.086 14 L CA 1.669 56.449 54.840 -0.100 0.000 0.760 14 L CB -0.784 41.225 42.059 -0.083 0.000 0.910 14 L HN 0.132 nan 8.230 nan 0.000 0.437 15 A N -0.413 122.369 122.820 -0.063 0.000 1.902 15 A HA -0.171 4.131 4.320 -0.029 0.000 0.217 15 A C 2.311 179.877 177.584 -0.030 0.000 1.181 15 A CA 1.658 53.672 52.037 -0.039 0.000 0.623 15 A CB -0.719 18.260 19.000 -0.034 0.000 0.818 15 A HN 0.354 nan 8.150 nan 0.000 0.443 16 I N -0.149 120.395 120.570 -0.042 0.000 2.264 16 I HA -0.313 3.840 4.170 -0.029 0.000 0.248 16 I C 2.948 179.050 176.117 -0.025 0.000 1.111 16 I CA 1.063 62.347 61.300 -0.027 0.000 1.382 16 I CB -0.310 37.670 38.000 -0.033 0.000 1.060 16 I HN 0.373 nan 8.210 nan 0.000 0.418 17 A N 0.368 123.156 122.820 -0.053 0.000 1.902 17 A HA -0.146 4.157 4.320 -0.029 0.000 0.217 17 A C 2.426 179.996 177.584 -0.024 0.000 1.181 17 A CA 1.733 53.739 52.037 -0.051 0.000 0.623 17 A CB -0.930 18.023 19.000 -0.079 0.000 0.818 17 A HN 0.237 nan 8.150 nan 0.000 0.443 18 V N -0.403 119.499 119.914 -0.021 0.000 2.343 18 V HA -0.236 3.866 4.120 -0.029 0.000 0.247 18 V C 2.513 178.612 176.094 0.008 0.000 1.051 18 V CA 1.950 64.245 62.300 -0.008 0.000 1.036 18 V CB -0.771 31.047 31.823 -0.009 0.000 0.654 18 V HN 0.476 nan 8.190 nan 0.000 0.451 19 L N 0.297 121.534 121.223 0.023 0.000 2.056 19 L HA -0.056 4.266 4.340 -0.029 0.000 0.207 19 L C 2.621 179.522 176.870 0.051 0.000 1.078 19 L CA 2.080 56.951 54.840 0.052 0.000 0.749 19 L CB -1.164 40.953 42.059 0.097 0.000 0.901 19 L HN 0.270 nan 8.230 nan 0.000 0.433 20 A N -0.169 122.678 122.820 0.046 0.000 1.892 20 A HA -0.232 4.070 4.320 -0.029 0.000 0.218 20 A C 2.310 179.921 177.584 0.045 0.000 1.188 20 A CA 2.164 54.234 52.037 0.054 0.000 0.631 20 A CB -0.819 18.209 19.000 0.046 0.000 0.822 20 A HN 0.374 nan 8.150 nan 0.000 0.447 21 I N -0.542 120.044 120.570 0.027 0.000 2.133 21 I HA -0.248 3.905 4.170 -0.029 0.000 0.238 21 I C 2.486 178.614 176.117 0.018 0.000 1.074 21 I CA 1.242 62.555 61.300 0.022 0.000 1.342 21 I CB -0.453 37.550 38.000 0.005 0.000 1.053 21 I HN 0.289 nan 8.210 nan 0.000 0.404 22 L N 0.517 121.745 121.223 0.008 0.000 2.012 22 L HA -0.179 4.144 4.340 -0.029 0.000 0.210 22 L C 2.706 179.558 176.870 -0.030 0.000 1.073 22 L CA 1.779 56.619 54.840 -0.001 0.000 0.748 22 L CB -1.289 40.766 42.059 -0.008 0.000 0.891 22 L HN 0.367 nan 8.230 nan 0.000 0.431 23 G N -0.246 108.523 108.800 -0.053 0.000 2.421 23 G HA2 -0.251 3.691 3.960 -0.029 0.000 0.216 23 G HA3 -0.251 3.691 3.960 -0.029 0.000 0.216 23 G C 1.385 176.248 174.900 -0.061 0.000 1.171 23 G CA 0.713 45.736 45.100 -0.128 0.000 0.775 23 G HN 0.337 nan 8.290 nan 0.000 0.543 24 N N 0.182 118.898 118.700 0.027 0.000 2.416 24 N HA -0.023 4.700 4.740 -0.029 0.000 0.177 24 N C 2.226 177.802 175.510 0.110 0.000 1.036 24 N CA 0.435 53.541 53.050 0.094 0.000 0.901 24 N CB 0.259 38.817 38.487 0.118 0.000 0.976 24 N HN 0.166 nan 8.380 nan 0.000 0.444 25 V N 1.443 121.405 119.914 0.079 0.000 2.427 25 V HA -0.166 3.937 4.120 -0.029 0.000 0.248 25 V C 2.316 178.526 176.094 0.192 0.000 1.051 25 V CA 0.943 63.299 62.300 0.094 0.000 1.048 25 V CB -0.324 31.530 31.823 0.052 0.000 0.666 25 V HN 0.172 nan 8.190 nan 0.000 0.456 26 L N -0.292 121.022 121.223 0.150 0.000 2.083 26 L HA -0.091 4.231 4.340 -0.029 0.000 0.209 26 L C 2.325 179.387 176.870 0.321 0.000 1.083 26 L CA 1.734 56.671 54.840 0.161 0.000 0.752 26 L CB -0.422 41.506 42.059 -0.218 0.000 0.899 26 L HN 0.126 nan 8.230 nan 0.000 0.433 27 V N -1.313 118.779 119.914 0.297 0.000 2.295 27 V HA -0.348 3.754 4.120 -0.029 0.000 0.246 27 V C 2.563 178.926 176.094 0.449 0.000 1.049 27 V CA 1.934 64.524 62.300 0.483 0.000 1.024 27 V CB -0.717 31.324 31.823 0.364 0.000 0.648 27 V HN 0.613 nan 8.190 nan 0.000 0.447 28 C N -1.456 118.038 119.300 0.325 0.000 2.440 28 C HA -0.147 4.296 4.460 -0.029 0.000 0.278 28 C C 2.447 177.647 174.990 0.350 0.000 1.295 28 C CA 0.019 59.199 59.018 0.270 0.000 1.738 28 C CB -1.181 26.649 27.740 0.151 0.000 1.987 28 C HN 0.823 nan 8.230 nan 0.000 0.492 29 W N 2.081 123.473 121.300 0.154 0.000 2.338 29 W HA -0.130 4.512 4.660 -0.030 0.000 0.304 29 W C 2.465 179.123 176.519 0.231 0.000 1.212 29 W CA 1.929 59.364 57.345 0.149 0.000 1.264 29 W CB -0.968 28.549 29.460 0.095 0.000 1.142 29 W HN 0.358 nan 8.180 nan 0.000 0.512 30 A N -0.243 122.870 122.820 0.488 0.000 1.873 30 A HA -0.153 4.150 4.320 -0.029 0.000 0.215 30 A C 2.177 179.865 177.584 0.173 0.000 1.186 30 A CA 2.339 54.538 52.037 0.271 0.000 0.616 30 A CB -1.109 18.058 19.000 0.278 0.000 0.823 30 A HN 0.057 nan 8.150 nan 0.000 0.442 31 V N -2.359 117.688 119.914 0.220 0.000 2.490 31 V HA -0.250 3.852 4.120 -0.029 0.000 0.250 31 V C 2.138 178.337 176.094 0.175 0.000 1.061 31 V CA 1.828 64.208 62.300 0.133 0.000 1.064 31 V CB -0.849 31.077 31.823 0.172 0.000 0.670 31 V HN 0.835 nan 8.190 nan 0.000 0.461 32 W N 0.007 121.361 121.300 0.091 0.000 2.418 32 W HA -0.040 4.603 4.660 -0.027 0.000 0.292 32 W C 2.124 178.689 176.519 0.076 0.000 1.213 32 W CA 1.263 58.651 57.345 0.072 0.000 1.283 32 W CB -0.027 29.483 29.460 0.083 0.000 1.119 32 W HN 0.122 nan 8.180 nan 0.000 0.542 33 L N 0.013 121.393 121.223 0.263 0.000 2.068 33 L HA -0.069 4.253 4.340 -0.029 0.000 0.204 33 L C 0.842 177.687 176.870 -0.042 0.000 1.076 33 L CA 0.772 55.668 54.840 0.094 0.000 0.753 33 L CB -0.951 41.221 42.059 0.189 0.000 0.910 33 L HN -0.197 nan 8.230 nan 0.000 0.439 34 N N -0.493 118.185 118.700 -0.037 0.000 2.434 34 N HA 0.013 4.736 4.740 -0.029 0.000 0.272 34 N C 0.656 176.105 175.510 -0.101 0.000 1.040 34 N CA 0.184 53.180 53.050 -0.089 0.000 0.956 34 N CB 1.711 40.117 38.487 -0.135 0.000 1.108 34 N HN -0.135 nan 8.380 nan 0.000 0.481 35 S N 2.944 118.586 115.700 -0.097 0.000 2.428 35 S HA 0.004 4.457 4.470 -0.029 0.000 0.230 35 S C 0.919 175.475 174.600 -0.072 0.000 1.014 35 S CA 0.742 58.893 58.200 -0.082 0.000 0.957 35 S CB -0.078 63.077 63.200 -0.075 0.000 0.784 35 S HN 0.568 nan 8.310 nan 0.000 0.499 36 N N 1.208 119.853 118.700 -0.092 0.000 2.515 36 N HA 0.138 4.861 4.740 -0.029 0.000 0.191 36 N C 0.463 175.895 175.510 -0.131 0.000 1.182 36 N CA 0.419 53.412 53.050 -0.095 0.000 0.879 36 N CB 0.032 38.460 38.487 -0.099 0.000 0.984 36 N HN 0.468 nan 8.380 nan 0.000 0.453 37 L N -0.224 120.910 121.223 -0.149 0.000 3.069 37 L HA 0.234 4.556 4.340 -0.029 0.000 0.271 37 L C 0.508 177.353 176.870 -0.042 0.000 1.201 37 L CA 0.092 54.819 54.840 -0.187 0.000 1.015 37 L CB 0.424 42.255 42.059 -0.380 0.000 1.371 37 L HN -0.123 nan 8.230 nan 0.000 0.574 38 Q N 1.170 120.970 119.800 0.001 0.000 2.286 38 Q HA 0.119 4.442 4.340 -0.029 0.000 0.281 38 Q C -0.220 175.865 176.000 0.142 0.000 0.897 38 Q CA -0.345 55.513 55.803 0.092 0.000 1.023 38 Q CB 0.172 28.937 28.738 0.045 0.000 1.151 38 Q HN 0.531 nan 8.270 nan 0.000 0.445 39 N N -2.460 116.301 118.700 0.102 0.000 2.413 39 N HA 0.080 4.802 4.740 -0.029 0.000 0.266 39 N C 0.878 176.378 175.510 -0.017 0.000 1.238 39 N CA -0.614 52.466 53.050 0.049 0.000 0.972 39 N CB 0.560 39.082 38.487 0.058 0.000 1.210 39 N HN -0.238 nan 8.380 nan 0.000 0.547 40 V N -0.640 119.159 119.914 -0.192 0.000 2.515 40 V HA -0.219 3.883 4.120 -0.029 0.000 0.250 40 V C 1.933 177.977 176.094 -0.084 0.000 1.058 40 V CA 2.066 64.080 62.300 -0.476 0.000 1.064 40 V CB -1.287 30.337 31.823 -0.332 0.000 0.675 40 V HN 0.831 nan 8.190 nan 0.000 0.461 41 T N 0.497 115.141 114.554 0.150 0.000 2.759 41 T HA -0.169 4.164 4.350 -0.029 0.000 0.269 41 T C 1.676 176.571 174.700 0.325 0.000 1.042 41 T CA 1.567 63.850 62.100 0.305 0.000 1.140 41 T CB -0.369 68.644 68.868 0.241 0.000 0.864 41 T HN 0.430 nan 8.240 nan 0.000 0.455 42 N N 0.274 119.135 118.700 0.269 0.000 2.515 42 N HA 0.027 4.749 4.740 -0.029 0.000 0.185 42 N C 1.106 176.796 175.510 0.300 0.000 1.109 42 N CA 0.311 53.530 53.050 0.282 0.000 0.903 42 N CB -0.234 38.394 38.487 0.235 0.000 0.969 42 N HN 0.412 nan 8.380 nan 0.000 0.450 43 Y N -0.000 120.277 120.300 -0.038 0.000 2.224 43 Y HA -0.060 4.473 4.550 -0.028 0.000 0.289 43 Y C 1.721 177.515 175.900 -0.176 0.000 1.146 43 Y CA 0.719 58.709 58.100 -0.183 0.000 1.182 43 Y CB -0.653 37.552 38.460 -0.425 0.000 0.983 43 Y HN 0.037 nan 8.280 nan 0.000 0.524 44 F N -2.119 118.007 119.950 0.293 0.000 2.416 44 F HA -0.077 4.431 4.527 -0.031 0.000 0.296 44 F C 2.182 178.100 175.800 0.196 0.000 1.099 44 F CA 0.389 58.517 58.000 0.214 0.000 1.427 44 F CB -0.613 38.487 39.000 0.166 0.000 1.079 44 F HN -0.258 nan 8.300 nan 0.000 0.536 45 V N -0.594 119.530 119.914 0.351 0.000 2.427 45 V HA -0.224 3.878 4.120 -0.029 0.000 0.248 45 V C 2.220 178.462 176.094 0.248 0.000 1.051 45 V CA 1.333 63.793 62.300 0.267 0.000 1.048 45 V CB -0.551 31.372 31.823 0.167 0.000 0.666 45 V HN 0.163 nan 8.190 nan 0.000 0.456 46 V N -0.512 119.535 119.914 0.222 0.000 2.307 46 V HA -0.235 3.868 4.120 -0.029 0.000 0.245 46 V C 2.671 178.900 176.094 0.224 0.000 1.045 46 V CA 2.303 64.719 62.300 0.194 0.000 1.024 46 V CB -0.530 31.365 31.823 0.120 0.000 0.651 46 V HN 0.614 nan 8.190 nan 0.000 0.449 47 S N -0.242 115.613 115.700 0.260 0.000 2.370 47 S HA -0.209 4.243 4.470 -0.029 0.000 0.226 47 S C 1.963 176.787 174.600 0.373 0.000 1.033 47 S CA 1.993 60.420 58.200 0.377 0.000 1.011 47 S CB -0.363 63.096 63.200 0.432 0.000 0.852 47 S HN 0.408 nan 8.310 nan 0.000 0.457 48 L N 1.802 123.200 121.223 0.292 0.000 2.046 48 L HA 0.114 4.437 4.340 -0.029 0.000 0.208 48 L C 2.488 179.509 176.870 0.251 0.000 1.077 48 L CA 2.104 57.089 54.840 0.241 0.000 0.747 48 L CB -1.229 40.968 42.059 0.229 0.000 0.896 48 L HN 0.331 nan 8.230 nan 0.000 0.432 49 A N -0.687 122.286 122.820 0.256 0.000 1.972 49 A HA -0.064 4.238 4.320 -0.029 0.000 0.219 49 A C 2.438 180.150 177.584 0.213 0.000 1.169 49 A CA 1.601 53.777 52.037 0.231 0.000 0.635 49 A CB -1.030 18.108 19.000 0.229 0.000 0.810 49 A HN 0.563 nan 8.150 nan 0.000 0.446 50 A N -0.006 122.959 122.820 0.241 0.000 1.902 50 A HA 0.159 4.462 4.320 -0.029 0.000 0.217 50 A C 2.505 180.259 177.584 0.283 0.000 1.181 50 A CA 2.027 54.203 52.037 0.231 0.000 0.623 50 A CB -1.022 18.125 19.000 0.245 0.000 0.818 50 A HN 1.050 nan 8.150 nan 0.000 0.443 51 A N -0.146 122.899 122.820 0.375 0.000 1.933 51 A HA -0.186 4.117 4.320 -0.029 0.000 0.218 51 A C 1.754 179.473 177.584 0.226 0.000 1.175 51 A CA 1.867 54.112 52.037 0.347 0.000 0.628 51 A CB -0.513 18.633 19.000 0.244 0.000 0.814 51 A HN 0.472 nan 8.150 nan 0.000 0.444 52 D N -0.187 120.336 120.400 0.205 0.000 2.183 52 D HA -0.039 4.583 4.640 -0.029 0.000 0.203 52 D C 1.857 178.238 176.300 0.136 0.000 0.969 52 D CA 0.829 54.933 54.000 0.173 0.000 0.842 52 D CB -0.218 40.686 40.800 0.173 0.000 0.957 52 D HN 0.537 nan 8.370 nan 0.000 0.484 53 I N 1.207 121.857 120.570 0.134 0.000 2.252 53 I HA -0.208 3.944 4.170 -0.029 0.000 0.245 53 I C 2.456 178.629 176.117 0.093 0.000 1.102 53 I CA 0.842 62.199 61.300 0.095 0.000 1.385 53 I CB -0.188 37.861 38.000 0.083 0.000 1.064 53 I HN -0.096 nan 8.210 nan 0.000 0.414 54 A N 0.340 123.241 122.820 0.136 0.000 2.019 54 A HA -0.113 4.189 4.320 -0.029 0.000 0.219 54 A C 2.414 180.087 177.584 0.148 0.000 1.164 54 A CA 1.311 53.448 52.037 0.166 0.000 0.644 54 A CB -0.755 18.394 19.000 0.249 0.000 0.805 54 A HN 0.255 nan 8.150 nan 0.000 0.449 55 V N -0.298 119.688 119.914 0.120 0.000 2.307 55 V HA -0.165 3.938 4.120 -0.029 0.000 0.245 55 V C 2.788 178.886 176.094 0.005 0.000 1.045 55 V CA 2.001 64.353 62.300 0.085 0.000 1.024 55 V CB -1.248 30.644 31.823 0.116 0.000 0.651 55 V HN 0.595 nan 8.190 nan 0.000 0.449 56 G N -0.641 108.163 108.800 0.007 0.000 2.422 56 G HA2 -0.145 3.798 3.960 -0.029 0.000 0.218 56 G HA3 -0.145 3.798 3.960 -0.029 0.000 0.218 56 G C 1.587 176.453 174.900 -0.055 0.000 1.140 56 G CA 1.177 46.256 45.100 -0.034 0.000 0.775 56 G HN 0.400 nan 8.290 nan 0.000 0.545 57 V N -0.061 119.832 119.914 -0.035 0.000 2.446 57 V HA 0.139 4.241 4.120 -0.029 0.000 0.244 57 V C 2.482 178.487 176.094 -0.147 0.000 1.039 57 V CA 1.226 63.488 62.300 -0.064 0.000 1.045 57 V CB -0.022 31.785 31.823 -0.028 0.000 0.681 57 V HN 0.298 nan 8.190 nan 0.000 0.459 58 L N -1.153 119.969 121.223 -0.168 0.000 2.588 58 L HA 0.331 4.653 4.340 -0.029 0.000 0.194 58 L C 2.541 179.085 176.870 -0.543 0.000 1.070 58 L CA 0.915 55.464 54.840 -0.485 0.000 0.852 58 L CB -0.651 41.148 42.059 -0.433 0.000 1.199 58 L HN 0.187 nan 8.230 nan 0.000 0.486 59 A N 0.834 123.611 122.820 -0.071 0.000 1.883 59 A HA -0.196 4.107 4.320 -0.029 0.000 0.217 59 A C 2.144 179.731 177.584 0.006 0.000 1.186 59 A CA 1.751 53.857 52.037 0.115 0.000 0.624 59 A CB -0.712 18.387 19.000 0.165 0.000 0.822 59 A HN 0.337 nan 8.150 nan 0.000 0.444 60 I N -0.287 120.189 120.570 -0.156 0.000 2.202 60 I HA -0.140 4.013 4.170 -0.029 0.000 0.242 60 I C -0.619 175.444 176.117 -0.091 0.000 1.091 60 I CA 1.171 62.325 61.300 -0.243 0.000 1.368 60 I CB -1.024 36.793 38.000 -0.305 0.000 1.058 60 I HN 0.211 nan 8.210 nan 0.000 0.410 61 P HA -0.156 nan 4.420 nan 0.000 0.216 61 P C 1.608 179.007 177.300 0.166 0.000 1.150 61 P CA 1.449 64.534 63.100 -0.025 0.000 0.837 61 P CB -0.082 31.549 31.700 -0.115 0.000 0.786 62 F N 0.238 120.237 119.950 0.082 0.000 2.134 62 F HA -0.084 4.425 4.527 -0.029 0.000 0.299 62 F C 2.434 178.336 175.800 0.170 0.000 1.097 62 F CA 0.651 58.732 58.000 0.134 0.000 1.264 62 F CB -1.792 37.302 39.000 0.158 0.000 1.001 62 F HN -0.095 nan 8.300 nan 0.000 0.479 63 A N 0.504 123.536 122.820 0.353 0.000 1.908 63 A HA -0.180 4.123 4.320 -0.029 0.000 0.218 63 A C 2.341 180.135 177.584 0.348 0.000 1.181 63 A CA 1.852 54.089 52.037 0.333 0.000 0.627 63 A CB -1.123 18.069 19.000 0.319 0.000 0.818 63 A HN 0.367 nan 8.150 nan 0.000 0.445 64 I N -0.694 120.039 120.570 0.273 0.000 2.252 64 I HA -0.200 3.952 4.170 -0.029 0.000 0.245 64 I C 2.546 178.801 176.117 0.230 0.000 1.102 64 I CA 1.652 63.112 61.300 0.266 0.000 1.385 64 I CB -0.789 37.288 38.000 0.128 0.000 1.064 64 I HN 0.232 nan 8.210 nan 0.000 0.414 65 T N 1.059 115.741 114.554 0.213 0.000 2.720 65 T HA -0.173 4.159 4.350 -0.029 0.000 0.268 65 T C 1.951 176.820 174.700 0.282 0.000 1.037 65 T CA 1.391 63.587 62.100 0.160 0.000 1.144 65 T CB -0.231 68.730 68.868 0.154 0.000 0.864 65 T HN 0.329 nan 8.240 nan 0.000 0.444 66 I N 1.673 122.457 120.570 0.357 0.000 2.928 66 I HA -0.091 4.061 4.170 -0.029 0.000 0.266 66 I C 2.127 178.431 176.117 0.311 0.000 1.234 66 I CA 0.720 62.254 61.300 0.389 0.000 1.483 66 I CB -0.076 38.114 38.000 0.317 0.000 1.097 66 I HN 0.256 nan 8.210 nan 0.000 0.455 67 S N -0.893 114.980 115.700 0.289 0.000 2.603 67 S HA -0.105 4.347 4.470 -0.029 0.000 0.229 67 S C 1.738 176.443 174.600 0.174 0.000 0.972 67 S CA 0.923 59.270 58.200 0.244 0.000 0.935 67 S CB -0.867 62.450 63.200 0.196 0.000 0.769 67 S HN 0.618 nan 8.310 nan 0.000 0.536 68 T N -2.863 111.821 114.554 0.217 0.000 3.051 68 T HA 0.405 4.737 4.350 -0.029 0.000 0.255 68 T C 1.660 176.481 174.700 0.201 0.000 1.085 68 T CA 0.636 62.849 62.100 0.189 0.000 1.109 68 T CB -0.713 68.271 68.868 0.194 0.000 0.921 68 T HN 1.206 nan 8.240 nan 0.000 0.488 69 G N 2.309 111.246 108.800 0.228 0.000 2.221 69 G HA2 -0.205 3.737 3.960 -0.029 0.000 0.265 69 G HA3 -0.205 3.737 3.960 -0.029 0.000 0.265 69 G C -0.071 174.874 174.900 0.075 0.000 1.041 69 G CA 0.023 45.185 45.100 0.103 0.000 0.807 69 G HN 0.967 nan 8.290 nan 0.000 0.502 70 F N -0.550 119.422 119.950 0.037 0.000 2.485 70 F HA 0.596 5.105 4.527 -0.029 0.000 0.327 70 F C 0.902 176.715 175.800 0.021 0.000 1.203 70 F CA -1.709 56.308 58.000 0.029 0.000 1.295 70 F CB 0.011 39.031 39.000 0.033 0.000 1.191 70 F HN 0.161 nan 8.300 nan 0.000 0.588 71 c N 3.072 121.686 118.600 0.022 0.000 2.576 71 c HA 0.738 5.290 4.570 -0.029 0.000 0.401 71 c C 0.609 174.643 174.090 -0.092 0.000 1.314 71 c CA 0.212 56.494 56.329 -0.077 0.000 1.855 71 c CB -1.163 41.358 42.510 0.018 0.000 2.537 71 c HN 1.032 nan 8.230 nan 0.000 0.578 72 A N 2.459 125.155 122.820 -0.207 0.000 2.609 72 A HA 0.858 5.160 4.320 -0.029 0.000 0.291 72 A C -0.359 177.177 177.584 -0.080 0.000 1.096 72 A CA -0.220 51.750 52.037 -0.111 0.000 0.684 72 A CB 0.438 19.301 19.000 -0.229 0.000 1.282 72 A HN 1.398 nan 8.150 nan 0.000 0.412 73 A N -0.265 122.545 122.820 -0.016 0.000 2.507 73 A HA 0.361 4.663 4.320 -0.029 0.000 0.235 73 A C 1.623 179.182 177.584 -0.042 0.000 1.070 73 A CA 0.454 52.485 52.037 -0.010 0.000 0.768 73 A CB -0.482 18.536 19.000 0.031 0.000 1.011 73 A HN 2.188 nan 8.150 nan 0.000 0.502 74 c N 0.950 119.512 118.600 -0.064 0.000 2.440 74 c HA -0.184 4.368 4.570 -0.029 0.000 0.282 74 c C 2.390 176.386 174.090 -0.157 0.000 1.223 74 c CA 2.098 58.332 56.329 -0.159 0.000 1.744 74 c CB -1.809 40.545 42.510 -0.260 0.000 2.061 74 c HN 0.953 nan 8.230 nan 0.000 0.456 75 H N -0.126 118.940 119.070 -0.007 0.000 2.421 75 H HA 0.065 4.604 4.556 -0.029 0.000 0.298 75 H C 2.459 177.811 175.328 0.040 0.000 1.087 75 H CA 1.854 57.912 56.048 0.017 0.000 1.330 75 H CB -0.590 29.184 29.762 0.020 0.000 1.388 75 H HN 0.641 nan 8.280 nan 0.000 0.526 76 G N -0.432 108.445 108.800 0.128 0.000 2.422 76 G HA2 -0.293 3.649 3.960 -0.029 0.000 0.218 76 G HA3 -0.293 3.649 3.960 -0.029 0.000 0.218 76 G C 1.908 176.861 174.900 0.089 0.000 1.146 76 G CA 0.913 46.070 45.100 0.095 0.000 0.769 76 G HN 0.562 nan 8.290 nan 0.000 0.547 77 c N 0.095 118.705 118.600 0.016 0.000 2.435 77 c HA 0.203 4.756 4.570 -0.029 0.000 0.279 77 c C 2.869 176.947 174.090 -0.019 0.000 1.321 77 c CA 0.605 56.907 56.329 -0.044 0.000 1.752 77 c CB -1.055 41.365 42.510 -0.150 0.000 1.959 77 c HN 0.391 nan 8.230 nan 0.000 0.500 78 L N -0.399 120.823 121.223 -0.001 0.000 2.093 78 L HA -0.008 4.315 4.340 -0.029 0.000 0.208 78 L C 2.424 179.342 176.870 0.080 0.000 1.085 78 L CA 1.538 56.374 54.840 -0.006 0.000 0.755 78 L CB -0.771 41.278 42.059 -0.017 0.000 0.904 78 L HN 0.384 nan 8.230 nan 0.000 0.435 79 F N 0.964 120.921 119.950 0.011 0.000 2.102 79 F HA -0.234 4.275 4.527 -0.029 0.000 0.298 79 F C 2.301 178.086 175.800 -0.026 0.000 1.105 79 F CA 1.581 59.607 58.000 0.043 0.000 1.239 79 F CB -0.136 38.879 39.000 0.024 0.000 0.991 79 F HN -0.115 nan 8.300 nan 0.000 0.474 80 I N 0.201 120.706 120.570 -0.110 0.000 2.264 80 I HA -0.321 3.831 4.170 -0.029 0.000 0.248 80 I C 2.553 178.618 176.117 -0.086 0.000 1.111 80 I CA 1.287 62.324 61.300 -0.439 0.000 1.382 80 I CB -0.907 36.927 38.000 -0.276 0.000 1.060 80 I HN 0.273 nan 8.210 nan 0.000 0.418 81 A N -0.783 122.060 122.820 0.038 0.000 1.975 81 A HA -0.109 4.193 4.320 -0.029 0.000 0.215 81 A C 2.215 179.941 177.584 0.237 0.000 1.170 81 A CA 1.022 53.178 52.037 0.199 0.000 0.656 81 A CB -0.634 18.435 19.000 0.115 0.000 0.821 81 A HN 0.530 nan 8.150 nan 0.000 0.449 82 C N -2.232 117.125 119.300 0.095 0.000 2.865 82 C HA 0.226 4.669 4.460 -0.029 0.000 0.280 82 C C 2.092 177.120 174.990 0.063 0.000 1.255 82 C CA -0.129 58.944 59.018 0.092 0.000 1.705 82 C CB -1.555 26.202 27.740 0.028 0.000 2.080 82 C HN 0.676 nan 8.230 nan 0.000 0.591 83 F N 1.578 121.425 119.950 -0.172 0.000 2.161 83 F HA -0.157 4.353 4.527 -0.029 0.000 0.300 83 F C 2.236 178.023 175.800 -0.021 0.000 1.089 83 F CA 1.758 59.628 58.000 -0.216 0.000 1.282 83 F CB -0.483 38.320 39.000 -0.328 0.000 1.010 83 F HN 0.073 nan 8.300 nan 0.000 0.485 84 V N 0.818 120.751 119.914 0.033 0.000 2.594 84 V HA -0.252 3.851 4.120 -0.029 0.000 0.253 84 V C 2.166 178.201 176.094 -0.098 0.000 1.069 84 V CA 1.917 64.212 62.300 -0.008 0.000 1.082 84 V CB -0.446 31.508 31.823 0.218 0.000 0.680 84 V HN 0.439 nan 8.190 nan 0.000 0.469 85 L N -0.929 120.257 121.223 -0.062 0.000 2.141 85 L HA -0.106 4.216 4.340 -0.029 0.000 0.209 85 L C 2.470 179.229 176.870 -0.184 0.000 1.094 85 L CA 1.141 55.930 54.840 -0.086 0.000 0.763 85 L CB -0.740 41.349 42.059 0.049 0.000 0.908 85 L HN 0.236 nan 8.230 nan 0.000 0.437 86 V N 0.422 120.170 119.914 -0.275 0.000 2.261 86 V HA -0.292 3.810 4.120 -0.029 0.000 0.246 86 V C 2.462 178.320 176.094 -0.392 0.000 1.047 86 V CA 1.729 63.794 62.300 -0.392 0.000 1.015 86 V CB -0.433 30.983 31.823 -0.678 0.000 0.642 86 V HN 0.346 nan 8.190 nan 0.000 0.446 87 L N -0.208 120.763 121.223 -0.420 0.000 2.042 87 L HA -0.190 4.133 4.340 -0.029 0.000 0.210 87 L C 2.626 179.374 176.870 -0.203 0.000 1.076 87 L CA 2.060 56.749 54.840 -0.252 0.000 0.749 87 L CB -1.265 40.687 42.059 -0.178 0.000 0.893 87 L HN 0.387 nan 8.230 nan 0.000 0.432 88 T N -1.374 113.045 114.554 -0.226 0.000 2.708 88 T HA -0.250 4.082 4.350 -0.029 0.000 0.266 88 T C 1.854 176.369 174.700 -0.308 0.000 1.037 88 T CA 1.342 63.276 62.100 -0.276 0.000 1.146 88 T CB -0.186 68.357 68.868 -0.542 0.000 0.865 88 T HN 0.164 nan 8.240 nan 0.000 0.435 89 Q N 1.173 120.770 119.800 -0.339 0.000 2.084 89 Q HA -0.067 4.255 4.340 -0.029 0.000 0.202 89 Q C 2.524 178.239 176.000 -0.474 0.000 0.978 89 Q CA 1.784 57.326 55.803 -0.436 0.000 0.844 89 Q CB -0.829 27.727 28.738 -0.304 0.000 0.898 89 Q HN 0.445 nan 8.270 nan 0.000 0.426 90 S N -1.038 114.437 115.700 -0.375 0.000 2.359 90 S HA -0.185 4.267 4.470 -0.029 0.000 0.224 90 S C 2.015 176.404 174.600 -0.351 0.000 1.035 90 S CA 1.640 59.556 58.200 -0.473 0.000 1.018 90 S CB -0.455 62.106 63.200 -1.065 0.000 0.876 90 S HN 0.519 nan 8.310 nan 0.000 0.448 91 S N 1.543 117.067 115.700 -0.294 0.000 2.359 91 S HA -0.066 4.386 4.470 -0.029 0.000 0.224 91 S C 1.814 176.190 174.600 -0.373 0.000 1.035 91 S CA 1.366 59.434 58.200 -0.220 0.000 1.018 91 S CB -0.468 62.685 63.200 -0.078 0.000 0.876 91 S HN 0.448 nan 8.310 nan 0.000 0.448 92 I N 1.051 121.301 120.570 -0.533 0.000 2.151 92 I HA -0.191 3.961 4.170 -0.029 0.000 0.243 92 I C 2.024 177.876 176.117 -0.441 0.000 1.080 92 I CA 1.603 62.531 61.300 -0.621 0.000 1.339 92 I CB -1.409 36.172 38.000 -0.698 0.000 1.039 92 I HN 0.294 nan 8.210 nan 0.000 0.409 93 F N 0.735 120.521 119.950 -0.272 0.000 2.171 93 F HA -0.210 4.299 4.527 -0.030 0.000 0.300 93 F C 2.784 178.459 175.800 -0.208 0.000 1.090 93 F CA 1.213 59.078 58.000 -0.225 0.000 1.293 93 F CB -0.430 38.443 39.000 -0.212 0.000 1.013 93 F HN 0.007 nan 8.300 nan 0.000 0.486 94 S N 0.518 116.217 115.700 -0.002 0.000 2.368 94 S HA -0.122 4.331 4.470 -0.029 0.000 0.224 94 S C 2.036 176.599 174.600 -0.062 0.000 1.029 94 S CA 0.959 59.175 58.200 0.027 0.000 0.988 94 S CB -0.437 62.823 63.200 0.100 0.000 0.838 94 S HN 0.251 nan 8.310 nan 0.000 0.462 95 L N 0.751 121.908 121.223 -0.109 0.000 2.083 95 L HA -0.092 4.231 4.340 -0.029 0.000 0.209 95 L C 2.366 179.169 176.870 -0.113 0.000 1.083 95 L CA 0.674 55.456 54.840 -0.097 0.000 0.752 95 L CB -0.487 41.458 42.059 -0.190 0.000 0.899 95 L HN 0.287 nan 8.230 nan 0.000 0.433 96 L N 0.345 121.473 121.223 -0.159 0.000 2.056 96 L HA -0.109 4.213 4.340 -0.029 0.000 0.207 96 L C 2.608 179.344 176.870 -0.224 0.000 1.078 96 L CA 2.024 56.768 54.840 -0.161 0.000 0.749 96 L CB -0.783 41.204 42.059 -0.120 0.000 0.901 96 L HN 0.133 nan 8.230 nan 0.000 0.433 97 A N -0.554 122.069 122.820 -0.330 0.000 1.969 97 A HA -0.131 4.171 4.320 -0.029 0.000 0.218 97 A C 2.262 179.487 177.584 -0.598 0.000 1.169 97 A CA 1.810 53.481 52.037 -0.611 0.000 0.635 97 A CB -0.764 17.521 19.000 -1.192 0.000 0.810 97 A HN 0.520 nan 8.150 nan 0.000 0.445 98 I N -0.435 119.906 120.570 -0.382 0.000 2.252 98 I HA -0.239 3.913 4.170 -0.029 0.000 0.245 98 I C 2.986 179.041 176.117 -0.104 0.000 1.102 98 I CA 0.899 62.127 61.300 -0.119 0.000 1.385 98 I CB -0.397 37.640 38.000 0.060 0.000 1.064 98 I HN 0.357 nan 8.210 nan 0.000 0.414 99 A N 1.463 124.172 122.820 -0.184 0.000 1.865 99 A HA -0.210 4.093 4.320 -0.029 0.000 0.217 99 A C 2.296 179.697 177.584 -0.305 0.000 1.191 99 A CA 1.715 53.496 52.037 -0.426 0.000 0.623 99 A CB -0.942 17.772 19.000 -0.476 0.000 0.826 99 A HN 0.367 nan 8.150 nan 0.000 0.444 100 I N -0.329 120.108 120.570 -0.222 0.000 2.208 100 I HA -0.278 3.875 4.170 -0.029 0.000 0.245 100 I C 2.330 178.447 176.117 -0.000 0.000 1.097 100 I CA 1.955 63.181 61.300 -0.124 0.000 1.363 100 I CB -0.555 37.360 38.000 -0.142 0.000 1.051 100 I HN 0.462 nan 8.210 nan 0.000 0.413 101 D N 0.932 121.322 120.400 -0.016 0.000 2.116 101 D HA -0.218 4.404 4.640 -0.029 0.000 0.193 101 D C 2.300 178.662 176.300 0.103 0.000 0.998 101 D CA 1.437 55.512 54.000 0.124 0.000 0.836 101 D CB 0.083 40.983 40.800 0.166 0.000 0.951 101 D HN 0.008 nan 8.370 nan 0.000 0.449 102 R N -0.732 119.773 120.500 0.008 0.000 2.189 102 R HA -0.120 4.202 4.340 -0.029 0.000 0.223 102 R C 2.066 178.322 176.300 -0.073 0.000 1.092 102 R CA 0.603 56.675 56.100 -0.047 0.000 0.989 102 R CB -1.013 29.265 30.300 -0.036 0.000 0.876 102 R HN 0.475 nan 8.270 nan 0.000 0.457 103 Y N 2.023 122.224 120.300 -0.165 0.000 2.109 103 Y HA -0.118 4.417 4.550 -0.026 0.000 0.285 103 Y C 2.078 177.924 175.900 -0.090 0.000 1.131 103 Y CA 1.738 59.743 58.100 -0.157 0.000 1.121 103 Y CB -0.249 38.107 38.460 -0.174 0.000 0.987 103 Y HN 0.009 nan 8.280 nan 0.000 0.495 104 I N -1.025 119.592 120.570 0.079 0.000 3.444 104 I HA 0.182 4.334 4.170 -0.029 0.000 0.287 104 I C 1.577 177.700 176.117 0.011 0.000 1.302 104 I CA 1.114 62.438 61.300 0.041 0.000 1.368 104 I CB -0.512 37.603 38.000 0.192 0.000 1.048 104 I HN 0.245 nan 8.210 nan 0.000 0.487 105 A N 0.927 123.664 122.820 -0.137 0.000 2.252 105 A HA 0.428 4.730 4.320 -0.029 0.000 0.213 105 A C 1.932 179.337 177.584 -0.299 0.000 1.188 105 A CA 0.195 51.990 52.037 -0.404 0.000 0.863 105 A CB -0.093 18.442 19.000 -0.775 0.000 0.893 105 A HN 0.507 nan 8.150 nan 0.000 0.495 106 I N -2.543 117.876 120.570 -0.253 0.000 4.312 106 I HA 0.208 4.360 4.170 -0.029 0.000 0.324 106 I C 2.189 178.167 176.117 -0.231 0.000 1.298 106 I CA 0.205 61.377 61.300 -0.213 0.000 1.231 106 I CB 0.294 38.188 38.000 -0.176 0.000 1.152 106 I HN 0.195 nan 8.210 nan 0.000 0.421 107 R N 1.150 121.453 120.500 -0.329 0.000 2.250 107 R HA 0.336 4.659 4.340 -0.029 0.000 0.194 107 R C 0.609 176.778 176.300 -0.218 0.000 0.927 107 R CA 0.509 56.416 56.100 -0.321 0.000 1.052 107 R CB 0.752 30.723 30.300 -0.549 0.000 1.055 107 R HN 0.203 nan 8.270 nan 0.000 0.537 108 I N 2.096 122.554 120.570 -0.186 0.000 2.956 108 I HA 0.248 4.401 4.170 -0.029 0.000 0.311 108 I C -1.973 174.115 176.117 -0.048 0.000 1.436 108 I CA -1.442 59.802 61.300 -0.093 0.000 0.872 108 I CB 1.822 39.794 38.000 -0.048 0.000 2.099 108 I HN -0.098 nan 8.210 nan 0.000 0.624 109 P HA -0.102 nan 4.420 nan 0.000 0.221 109 P C 1.661 178.959 177.300 -0.003 0.000 1.150 109 P CA 1.057 64.129 63.100 -0.047 0.000 0.800 109 P CB 0.585 32.235 31.700 -0.084 0.000 0.787 110 L N -0.841 120.361 121.223 -0.035 0.000 2.191 110 L HA -0.072 4.250 4.340 -0.029 0.000 0.212 110 L C 2.048 178.905 176.870 -0.022 0.000 1.103 110 L CA 1.294 56.106 54.840 -0.048 0.000 0.769 110 L CB -0.351 41.648 42.059 -0.099 0.000 0.908 110 L HN -0.072 nan 8.230 nan 0.000 0.438 111 R N -2.248 118.257 120.500 0.009 0.000 2.659 111 R HA 0.045 4.367 4.340 -0.029 0.000 0.418 111 R C 0.901 177.228 176.300 0.044 0.000 1.076 111 R CA -0.176 55.931 56.100 0.011 0.000 1.093 111 R CB 0.384 30.681 30.300 -0.005 0.000 1.400 111 R HN 0.124 nan 8.270 nan 0.000 0.583 112 Y N 1.208 121.484 120.300 -0.040 0.000 2.184 112 Y HA -0.032 4.498 4.550 -0.033 0.000 0.290 112 Y C 1.582 177.466 175.900 -0.027 0.000 1.129 112 Y CA 1.572 59.653 58.100 -0.031 0.000 1.144 112 Y CB 0.181 38.619 38.460 -0.036 0.000 0.995 112 Y HN -0.007 nan 8.280 nan 0.000 0.513 113 N N 0.063 118.694 118.700 -0.115 0.000 2.396 113 N HA -0.041 4.682 4.740 -0.029 0.000 0.180 113 N C 1.817 177.225 175.510 -0.170 0.000 1.028 113 N CA 1.190 54.120 53.050 -0.201 0.000 0.893 113 N CB -0.577 37.888 38.487 -0.036 0.000 0.967 113 N HN 0.537 nan 8.380 nan 0.000 0.440 114 G N -0.481 108.254 108.800 -0.109 0.000 2.712 114 G HA2 -0.002 3.941 3.960 -0.029 0.000 0.212 114 G HA3 -0.002 3.941 3.960 -0.029 0.000 0.212 114 G C 1.405 176.250 174.900 -0.091 0.000 1.142 114 G CA 0.115 45.166 45.100 -0.080 0.000 0.789 114 G HN 0.165 nan 8.290 nan 0.000 0.535 115 L N -0.089 121.054 121.223 -0.132 0.000 2.433 115 L HA 0.419 4.741 4.340 -0.029 0.000 0.200 115 L C 0.788 177.560 176.870 -0.163 0.000 1.059 115 L CA 0.675 55.448 54.840 -0.112 0.000 0.835 115 L CB 0.655 42.673 42.059 -0.070 0.000 1.076 115 L HN -0.090 nan 8.230 nan 0.000 0.481 116 V N 1.477 121.198 119.914 -0.323 0.000 2.334 116 V HA 0.411 4.514 4.120 -0.029 0.000 0.267 116 V C -0.008 175.881 176.094 -0.341 0.000 1.040 116 V CA -0.016 62.072 62.300 -0.353 0.000 0.866 116 V CB 0.175 31.645 31.823 -0.589 0.000 1.019 116 V HN 0.508 nan 8.190 nan 0.000 0.468 117 T N 1.140 115.569 114.554 -0.208 0.000 2.916 117 T HA 0.564 4.897 4.350 -0.029 0.000 0.292 117 T C 1.298 175.881 174.700 -0.196 0.000 1.055 117 T CA 0.028 62.015 62.100 -0.188 0.000 1.009 117 T CB 1.916 70.712 68.868 -0.119 0.000 1.118 117 T HN 0.522 nan 8.240 nan 0.000 0.497 118 G N 0.870 109.538 108.800 -0.221 0.000 2.440 118 G HA2 -0.184 3.758 3.960 -0.029 0.000 0.218 118 G HA3 -0.184 3.758 3.960 -0.029 0.000 0.218 118 G C 1.316 176.207 174.900 -0.015 0.000 1.154 118 G CA 1.450 46.408 45.100 -0.236 0.000 0.767 118 G HN 0.797 nan 8.290 nan 0.000 0.552 119 T N 0.574 115.125 114.554 -0.004 0.000 2.684 119 T HA -0.100 4.233 4.350 -0.029 0.000 0.267 119 T C 2.505 177.220 174.700 0.025 0.000 1.036 119 T CA 1.304 63.419 62.100 0.026 0.000 1.148 119 T CB -0.146 68.728 68.868 0.009 0.000 0.863 119 T HN 0.302 nan 8.240 nan 0.000 0.436 120 R N 0.863 121.362 120.500 -0.001 0.000 2.090 120 R HA 0.135 4.457 4.340 -0.029 0.000 0.228 120 R C 2.874 179.204 176.300 0.051 0.000 1.110 120 R CA 1.047 57.158 56.100 0.018 0.000 0.973 120 R CB -0.469 29.831 30.300 -0.001 0.000 0.869 120 R HN 0.349 nan 8.270 nan 0.000 0.440 121 A N 1.965 124.794 122.820 0.016 0.000 1.865 121 A HA -0.232 4.070 4.320 -0.029 0.000 0.217 121 A C 1.943 179.561 177.584 0.056 0.000 1.191 121 A CA 1.600 53.642 52.037 0.008 0.000 0.623 121 A CB -0.360 18.483 19.000 -0.261 0.000 0.826 121 A HN 0.209 nan 8.150 nan 0.000 0.444 122 K N -0.859 119.605 120.400 0.106 0.000 2.103 122 K HA -0.116 4.186 4.320 -0.029 0.000 0.207 122 K C 2.108 178.773 176.600 0.108 0.000 1.048 122 K CA 1.080 57.438 56.287 0.118 0.000 0.930 122 K CB -0.459 32.111 32.500 0.116 0.000 0.716 122 K HN 0.499 nan 8.250 nan 0.000 0.444 123 G N 1.547 110.401 108.800 0.091 0.000 2.433 123 G HA2 -0.231 3.711 3.960 -0.029 0.000 0.216 123 G HA3 -0.231 3.711 3.960 -0.029 0.000 0.216 123 G C 1.508 176.466 174.900 0.097 0.000 1.186 123 G CA 0.716 45.865 45.100 0.081 0.000 0.779 123 G HN 0.141 nan 8.290 nan 0.000 0.543 124 I N 0.574 121.215 120.570 0.119 0.000 2.286 124 I HA -0.147 4.006 4.170 -0.029 0.000 0.248 124 I C 2.651 178.862 176.117 0.156 0.000 1.115 124 I CA 0.732 62.108 61.300 0.127 0.000 1.392 124 I CB -0.191 37.922 38.000 0.188 0.000 1.065 124 I HN 0.165 nan 8.210 nan 0.000 0.418 125 I N 0.740 121.449 120.570 0.232 0.000 2.179 125 I HA -0.297 3.855 4.170 -0.029 0.000 0.242 125 I C 2.841 179.160 176.117 0.337 0.000 1.088 125 I CA 1.410 62.886 61.300 0.293 0.000 1.357 125 I CB -0.531 37.649 38.000 0.299 0.000 1.051 125 I HN 0.180 nan 8.210 nan 0.000 0.409 126 A N 1.177 124.154 122.820 0.262 0.000 1.883 126 A HA -0.209 4.094 4.320 -0.029 0.000 0.217 126 A C 2.299 180.017 177.584 0.222 0.000 1.186 126 A CA 1.762 53.948 52.037 0.248 0.000 0.624 126 A CB -0.948 18.136 19.000 0.141 0.000 0.822 126 A HN 0.426 nan 8.150 nan 0.000 0.444 127 I N -0.712 119.933 120.570 0.125 0.000 2.226 127 I HA -0.302 3.850 4.170 -0.029 0.000 0.245 127 I C 2.419 178.530 176.117 -0.011 0.000 1.100 127 I CA 1.085 62.417 61.300 0.053 0.000 1.374 127 I CB -0.595 37.404 38.000 -0.002 0.000 1.057 127 I HN 0.364 nan 8.210 nan 0.000 0.413 128 C N -0.132 119.116 119.300 -0.087 0.000 2.435 128 C HA -0.161 4.281 4.460 -0.029 0.000 0.279 128 C C 2.539 177.470 174.990 -0.098 0.000 1.321 128 C CA 0.307 59.115 59.018 -0.350 0.000 1.752 128 C CB -1.297 26.210 27.740 -0.389 0.000 1.959 128 C HN 0.621 nan 8.230 nan 0.000 0.500 129 W N 0.248 121.613 121.300 0.109 0.000 2.436 129 W HA -0.063 4.579 4.660 -0.030 0.000 0.284 129 W C 2.362 179.089 176.519 0.348 0.000 1.225 129 W CA 0.742 58.232 57.345 0.241 0.000 1.271 129 W CB -0.506 29.107 29.460 0.256 0.000 1.114 129 W HN 0.030 nan 8.180 nan 0.000 0.559 130 V N 0.618 120.789 119.914 0.429 0.000 2.307 130 V HA -0.311 3.791 4.120 -0.029 0.000 0.245 130 V C 2.077 178.357 176.094 0.309 0.000 1.045 130 V CA 1.604 64.105 62.300 0.335 0.000 1.024 130 V CB -1.043 30.892 31.823 0.185 0.000 0.651 130 V HN 0.165 nan 8.190 nan 0.000 0.449 131 L N -0.150 121.181 121.223 0.181 0.000 2.083 131 L HA -0.161 4.161 4.340 -0.029 0.000 0.209 131 L C 2.624 179.661 176.870 0.278 0.000 1.083 131 L CA 1.569 56.511 54.840 0.169 0.000 0.752 131 L CB -0.689 41.363 42.059 -0.012 0.000 0.899 131 L HN 0.311 nan 8.230 nan 0.000 0.433 132 S N -0.319 115.554 115.700 0.289 0.000 2.368 132 S HA -0.141 4.311 4.470 -0.029 0.000 0.225 132 S C 1.796 176.481 174.600 0.142 0.000 1.030 132 S CA 1.390 59.709 58.200 0.197 0.000 0.999 132 S CB -0.347 62.870 63.200 0.028 0.000 0.844 132 S HN 0.244 nan 8.310 nan 0.000 0.459 133 F N 1.764 121.859 119.950 0.242 0.000 2.146 133 F HA -0.045 4.464 4.527 -0.030 0.000 0.298 133 F C 2.561 178.500 175.800 0.232 0.000 1.096 133 F CA 0.860 59.011 58.000 0.251 0.000 1.275 133 F CB -0.629 38.536 39.000 0.274 0.000 1.008 133 F HN 0.172 nan 8.300 nan 0.000 0.480 134 A N 0.166 123.227 122.820 0.403 0.000 1.902 134 A HA -0.144 4.158 4.320 -0.029 0.000 0.217 134 A C 2.200 179.986 177.584 0.337 0.000 1.181 134 A CA 1.688 53.919 52.037 0.323 0.000 0.623 134 A CB -0.948 18.215 19.000 0.273 0.000 0.818 134 A HN 0.407 nan 8.150 nan 0.000 0.443 135 I N -0.901 119.865 120.570 0.326 0.000 2.277 135 I HA -0.078 4.075 4.170 -0.029 0.000 0.243 135 I C 2.701 179.028 176.117 0.349 0.000 1.094 135 I CA 0.978 62.499 61.300 0.369 0.000 1.393 135 I CB -0.635 37.486 38.000 0.201 0.000 1.078 135 I HN 0.373 nan 8.210 nan 0.000 0.417 136 G N 1.038 109.962 108.800 0.208 0.000 2.422 136 G HA2 -0.114 3.829 3.960 -0.029 0.000 0.218 136 G HA3 -0.114 3.829 3.960 -0.029 0.000 0.218 136 G C 1.416 176.423 174.900 0.179 0.000 1.140 136 G CA 0.376 45.567 45.100 0.151 0.000 0.775 136 G HN 0.282 nan 8.290 nan 0.000 0.545 137 L N 1.035 122.391 121.223 0.221 0.000 2.872 137 L HA 0.174 4.496 4.340 -0.029 0.000 0.245 137 L C 2.153 179.131 176.870 0.181 0.000 1.211 137 L CA -0.213 54.757 54.840 0.217 0.000 1.013 137 L CB 0.269 42.529 42.059 0.335 0.000 1.326 137 L HN 0.067 nan 8.230 nan 0.000 0.525 138 T N 0.903 115.564 114.554 0.178 0.000 2.746 138 T HA -0.085 4.248 4.350 -0.029 0.000 0.267 138 T C -0.568 174.153 174.700 0.035 0.000 1.039 138 T CA 1.392 63.595 62.100 0.172 0.000 1.142 138 T CB -0.567 68.512 68.868 0.352 0.000 0.866 138 T HN 0.233 nan 8.240 nan 0.000 0.444 139 P HA 0.013 nan 4.420 nan 0.000 0.218 139 P C 1.503 178.804 177.300 0.002 0.000 1.148 139 P CA 1.022 63.992 63.100 -0.217 0.000 0.822 139 P CB -0.140 31.295 31.700 -0.441 0.000 0.784 140 M N -1.574 118.074 119.600 0.080 0.000 2.374 140 M HA -0.056 4.407 4.480 -0.029 0.000 0.264 140 M C 1.463 177.903 176.300 0.233 0.000 1.067 140 M CA 1.309 56.744 55.300 0.225 0.000 1.103 140 M CB -0.465 32.283 32.600 0.248 0.000 1.402 140 M HN -0.026 nan 8.290 nan 0.000 0.444 141 L N -1.599 119.725 121.223 0.167 0.000 2.558 141 L HA 0.140 4.462 4.340 -0.029 0.000 0.225 141 L C 1.536 178.485 176.870 0.133 0.000 1.128 141 L CA 0.608 55.531 54.840 0.138 0.000 0.868 141 L CB -0.134 42.005 42.059 0.134 0.000 1.006 141 L HN 0.519 nan 8.230 nan 0.000 0.454 142 G N -2.454 106.441 108.800 0.160 0.000 3.246 142 G HA2 -0.200 3.743 3.960 -0.029 0.000 0.218 142 G HA3 -0.200 3.743 3.960 -0.029 0.000 0.218 142 G C -0.234 174.753 174.900 0.145 0.000 0.978 142 G CA -0.668 44.511 45.100 0.132 0.000 0.825 142 G HN 0.136 nan 8.290 nan 0.000 0.546 143 W N 5.118 126.386 121.300 -0.053 0.000 1.438 143 W HA 0.499 5.141 4.660 -0.029 0.000 0.455 143 W C 0.080 176.522 176.519 -0.129 0.000 0.656 143 W CA -0.392 56.903 57.345 -0.084 0.000 2.049 143 W CB -0.885 28.512 29.460 -0.105 0.000 1.683 143 W HN 0.424 nan 8.180 nan 0.000 0.228 144 N N 0.789 119.589 118.700 0.167 0.000 3.102 144 N HA 0.254 4.977 4.740 -0.029 0.000 0.299 144 N C -0.479 175.038 175.510 0.011 0.000 1.482 144 N CA -0.593 52.461 53.050 0.007 0.000 0.785 144 N CB 0.442 38.872 38.487 -0.094 0.000 1.680 144 N HN -0.096 nan 8.380 nan 0.000 0.594 145 N N -0.808 117.861 118.700 -0.052 0.000 2.351 145 N HA 0.241 4.964 4.740 -0.029 0.000 0.254 145 N C 0.106 175.580 175.510 -0.061 0.000 1.241 145 N CA -0.224 52.804 53.050 -0.036 0.000 0.883 145 N CB -0.292 38.174 38.487 -0.035 0.000 1.202 145 N HN 0.649 nan 8.380 nan 0.000 0.512 146 c N -4.631 113.916 118.600 -0.089 0.000 3.637 146 c HA 0.450 5.003 4.570 -0.029 0.000 0.439 146 c C 2.122 176.163 174.090 -0.082 0.000 1.443 146 c CA -0.054 56.218 56.329 -0.096 0.000 2.037 146 c CB -0.422 42.005 42.510 -0.137 0.000 2.957 146 c HN 0.247 nan 8.230 nan 0.000 0.669 147 G N 0.961 109.712 108.800 -0.082 0.000 2.807 147 G HA2 0.247 4.190 3.960 -0.029 0.000 0.207 147 G HA3 0.247 4.190 3.960 -0.029 0.000 0.207 147 G C 0.533 175.425 174.900 -0.013 0.000 1.151 147 G CA 0.533 45.608 45.100 -0.042 0.000 0.800 147 G HN 0.753 nan 8.290 nan 0.000 0.523 157 Q N 0.791 120.582 119.800 -0.015 0.000 2.378 157 Q HA 0.696 5.019 4.340 -0.029 0.000 0.276 157 Q C 0.998 176.993 176.000 -0.008 0.000 1.083 157 Q CA 0.019 55.817 55.803 -0.010 0.000 0.856 157 Q CB 1.575 30.310 28.738 -0.006 0.000 1.383 157 Q HN 1.735 nan 8.270 nan 0.000 0.458 158 G N -0.002 108.796 108.800 -0.003 0.000 2.176 158 G HA2 -0.251 3.691 3.960 -0.029 0.000 0.253 158 G HA3 -0.251 3.691 3.960 -0.029 0.000 0.253 158 G C 0.412 175.313 174.900 0.003 0.000 0.979 158 G CA 0.327 45.428 45.100 0.001 0.000 0.641 158 G HN 0.617 nan 8.290 nan 0.000 0.530 159 c N 0.552 119.150 118.600 -0.003 0.000 3.559 159 c HA 0.656 5.208 4.570 -0.029 0.000 0.314 159 c C 1.631 175.721 174.090 0.000 0.000 1.419 159 c CA 0.694 57.022 56.329 -0.002 0.000 1.775 159 c CB -0.447 42.051 42.510 -0.019 0.000 2.430 159 c HN 2.187 nan 8.230 nan 0.000 0.686 160 G N 2.531 111.330 108.800 -0.001 0.000 2.731 160 G HA2 -0.077 3.866 3.960 -0.029 0.000 0.686 160 G HA3 -0.077 3.866 3.960 -0.029 0.000 0.686 160 G C -0.432 174.466 174.900 -0.003 0.000 1.395 160 G CA -0.006 45.094 45.100 0.001 0.000 0.870 160 G HN 0.721 nan 8.290 nan 0.000 0.591 161 E N 0.366 120.565 120.200 -0.002 0.000 2.415 161 E HA 0.475 4.807 4.350 -0.029 0.000 0.262 161 E C 1.467 178.066 176.600 -0.002 0.000 1.038 161 E CA 0.909 57.307 56.400 -0.003 0.000 0.921 161 E CB 0.757 30.456 29.700 -0.001 0.000 0.950 161 E HN 2.500 nan 8.360 nan 0.000 0.438 162 G N 1.843 110.640 108.800 -0.005 0.000 2.176 162 G HA2 -0.284 3.658 3.960 -0.029 0.000 0.253 162 G HA3 -0.284 3.658 3.960 -0.029 0.000 0.253 162 G C -0.050 174.845 174.900 -0.009 0.000 0.979 162 G CA 0.422 45.521 45.100 -0.001 0.000 0.641 162 G HN 0.602 nan 8.290 nan 0.000 0.530 163 Q N -0.853 118.936 119.800 -0.018 0.000 2.421 163 Q HA 0.685 5.008 4.340 -0.029 0.000 0.280 163 Q C -0.525 175.443 176.000 -0.052 0.000 1.085 163 Q CA -0.560 55.223 55.803 -0.033 0.000 0.807 163 Q CB 3.381 32.108 28.738 -0.018 0.000 1.405 163 Q HN 0.903 nan 8.270 nan 0.000 0.419 164 V N -2.419 117.445 119.914 -0.085 0.000 3.049 164 V HA 0.898 5.000 4.120 -0.029 0.000 0.309 164 V C -0.624 175.386 176.094 -0.139 0.000 1.148 164 V CA -1.186 61.057 62.300 -0.096 0.000 0.990 164 V CB 1.522 33.285 31.823 -0.101 0.000 1.039 164 V HN 0.898 nan 8.190 nan 0.000 0.430 165 A N 1.765 124.516 122.820 -0.114 0.000 2.522 165 A HA 0.295 4.598 4.320 -0.029 0.000 0.256 165 A C 0.553 178.027 177.584 -0.183 0.000 1.086 165 A CA 0.395 52.351 52.037 -0.135 0.000 0.763 165 A CB -0.263 18.694 19.000 -0.072 0.000 1.024 165 A HN 1.684 nan 8.150 nan 0.000 0.502 166 c N 6.240 124.655 118.600 -0.309 0.000 2.518 166 c HA 0.408 4.960 4.570 -0.029 0.000 0.456 166 c C -0.237 173.782 174.090 -0.119 0.000 1.016 166 c CA -0.597 55.552 56.329 -0.300 0.000 1.210 166 c CB -2.415 39.736 42.510 -0.597 0.000 1.542 166 c HN 0.608 nan 8.230 nan 0.000 0.545 167 L N 4.908 126.090 121.223 -0.068 0.000 2.296 167 L HA 0.303 4.625 4.340 -0.029 0.000 0.286 167 L C 0.780 177.668 176.870 0.030 0.000 1.023 167 L CA -0.276 54.569 54.840 0.008 0.000 0.812 167 L CB 0.395 42.451 42.059 -0.006 0.000 1.223 167 L HN 0.529 nan 8.230 nan 0.000 0.421 168 F N 2.805 122.727 119.950 -0.047 0.000 2.043 168 F HA -0.265 4.244 4.527 -0.029 0.000 0.297 168 F C 1.983 177.749 175.800 -0.055 0.000 1.118 168 F CA 2.003 59.975 58.000 -0.047 0.000 1.202 168 F CB 0.348 39.321 39.000 -0.045 0.000 0.965 168 F HN 0.695 nan 8.300 nan 0.000 0.482 169 E N -0.637 119.654 120.200 0.152 0.000 2.478 169 E HA -0.153 4.179 4.350 -0.029 0.000 0.198 169 E C 1.119 177.699 176.600 -0.034 0.000 1.046 169 E CA 0.783 57.219 56.400 0.061 0.000 0.870 169 E CB -0.152 29.605 29.700 0.095 0.000 0.818 169 E HN 0.516 nan 8.360 nan 0.000 0.527 170 D N -0.489 119.875 120.400 -0.061 0.000 2.327 170 D HA -0.064 4.559 4.640 -0.029 0.000 0.205 170 D C 1.858 178.094 176.300 -0.106 0.000 0.989 170 D CA 0.584 54.543 54.000 -0.068 0.000 0.873 170 D CB 0.724 41.488 40.800 -0.059 0.000 0.955 170 D HN 0.186 nan 8.370 nan 0.000 0.515 171 V N -2.493 117.319 119.914 -0.169 0.000 3.455 171 V HA 0.246 4.348 4.120 -0.029 0.000 0.250 171 V C 0.725 176.660 176.094 -0.266 0.000 1.230 171 V CA -0.153 62.028 62.300 -0.198 0.000 1.105 171 V CB 0.299 32.001 31.823 -0.203 0.000 0.850 171 V HN -0.203 nan 8.190 nan 0.000 0.461 172 V N 3.591 123.264 119.914 -0.401 0.000 2.334 172 V HA 0.441 4.543 4.120 -0.029 0.000 0.267 172 V C -2.397 173.509 176.094 -0.313 0.000 1.040 172 V CA -1.726 60.283 62.300 -0.486 0.000 0.866 172 V CB 0.504 31.778 31.823 -0.915 0.000 1.019 172 V HN 0.331 nan 8.190 nan 0.000 0.468 173 P HA 0.097 nan 4.420 nan 0.000 0.262 173 P C 0.899 178.123 177.300 -0.126 0.000 1.182 173 P CA 0.054 63.083 63.100 -0.118 0.000 0.761 173 P CB 0.489 32.121 31.700 -0.112 0.000 0.795 174 M N 2.700 122.261 119.600 -0.065 0.000 2.229 174 M HA -0.106 4.356 4.480 -0.029 0.000 0.264 174 M C 1.550 177.481 176.300 -0.615 0.000 1.063 174 M CA 1.542 56.714 55.300 -0.213 0.000 1.114 174 M CB -1.325 31.272 32.600 -0.004 0.000 1.387 174 M HN 0.411 nan 8.290 nan 0.000 0.420 175 N N 0.041 118.520 118.700 -0.369 0.000 2.289 175 N HA -0.242 4.480 4.740 -0.029 0.000 0.184 175 N C 1.680 177.091 175.510 -0.166 0.000 1.016 175 N CA 1.356 54.235 53.050 -0.285 0.000 0.872 175 N CB -1.263 37.494 38.487 0.449 0.000 0.973 175 N HN 0.498 nan 8.380 nan 0.000 0.433 176 Y N 0.738 120.735 120.300 -0.505 0.000 2.184 176 Y HA 0.030 4.563 4.550 -0.029 0.000 0.290 176 Y C 2.298 177.972 175.900 -0.377 0.000 1.129 176 Y CA 1.405 59.046 58.100 -0.764 0.000 1.144 176 Y CB -0.069 37.680 38.460 -1.184 0.000 0.995 176 Y HN -0.138 nan 8.280 nan 0.000 0.513 177 M N -0.603 118.796 119.600 -0.335 0.000 2.213 177 M HA -0.142 4.320 4.480 -0.029 0.000 0.263 177 M C 1.972 178.041 176.300 -0.385 0.000 1.062 177 M CA 1.086 56.207 55.300 -0.298 0.000 1.105 177 M CB -1.005 31.532 32.600 -0.106 0.000 1.385 177 M HN 0.290 nan 8.290 nan 0.000 0.417 178 V N -1.696 117.867 119.914 -0.585 0.000 2.341 178 V HA -0.182 3.921 4.120 -0.029 0.000 0.240 178 V C 2.071 177.763 176.094 -0.669 0.000 1.035 178 V CA 1.132 62.990 62.300 -0.737 0.000 1.033 178 V CB -0.796 30.331 31.823 -1.160 0.000 0.678 178 V HN 0.237 nan 8.190 nan 0.000 0.464 179 Y N -1.341 118.807 120.300 -0.253 0.000 2.130 179 Y HA -0.160 4.373 4.550 -0.029 0.000 0.287 179 Y C 2.321 178.275 175.900 0.090 0.000 1.124 179 Y CA 2.143 60.305 58.100 0.102 0.000 1.118 179 Y CB -0.299 38.299 38.460 0.230 0.000 0.994 179 Y HN 0.201 nan 8.280 nan 0.000 0.497 180 F N 0.728 120.650 119.950 -0.047 0.000 2.094 180 F HA -0.135 4.374 4.527 -0.029 0.000 0.291 180 F C 2.332 177.955 175.800 -0.295 0.000 1.109 180 F CA 1.275 59.189 58.000 -0.144 0.000 1.221 180 F CB -0.797 38.068 39.000 -0.226 0.000 1.014 180 F HN -0.024 nan 8.300 nan 0.000 0.473 181 N N -0.033 118.342 118.700 -0.541 0.000 2.028 181 N HA -0.227 4.496 4.740 -0.029 0.000 0.194 181 N C 2.086 177.414 175.510 -0.302 0.000 1.050 181 N CA 1.756 54.504 53.050 -0.504 0.000 0.848 181 N CB -0.748 37.449 38.487 -0.482 0.000 1.038 181 N HN 0.284 nan 8.380 nan 0.000 0.423 182 F N 1.260 120.942 119.950 -0.447 0.000 2.022 182 F HA -0.052 4.457 4.527 -0.029 0.000 0.293 182 F C 2.183 177.783 175.800 -0.333 0.000 1.142 182 F CA 1.205 58.882 58.000 -0.538 0.000 1.177 182 F CB -1.144 37.486 39.000 -0.617 0.000 0.982 182 F HN -0.051 nan 8.300 nan 0.000 0.473 183 F N 0.803 120.487 119.950 -0.443 0.000 2.069 183 F HA -0.089 4.420 4.527 -0.030 0.000 0.298 183 F C 2.674 178.272 175.800 -0.337 0.000 1.113 183 F CA 1.447 59.158 58.000 -0.482 0.000 1.214 183 F CB -1.744 37.157 39.000 -0.166 0.000 0.978 183 F HN 0.111 nan 8.300 nan 0.000 0.474 184 A N -1.634 121.159 122.820 -0.045 0.000 1.935 184 A HA -0.081 4.222 4.320 -0.029 0.000 0.214 184 A C 2.149 179.588 177.584 -0.241 0.000 1.178 184 A CA 1.481 53.449 52.037 -0.114 0.000 0.640 184 A CB -1.165 17.791 19.000 -0.075 0.000 0.825 184 A HN 0.470 nan 8.150 nan 0.000 0.447 185 C N -1.996 117.093 119.300 -0.351 0.000 2.735 185 C HA 0.310 4.753 4.460 -0.029 0.000 0.271 185 C C 2.253 177.030 174.990 -0.354 0.000 1.281 185 C CA 0.513 59.294 59.018 -0.394 0.000 1.719 185 C CB -0.185 27.248 27.740 -0.511 0.000 2.024 185 C HN 0.388 nan 8.230 nan 0.000 0.566 186 V N -0.460 119.270 119.914 -0.308 0.000 2.948 186 V HA 0.089 4.192 4.120 -0.029 0.000 0.234 186 V C 2.004 177.971 176.094 -0.212 0.000 1.205 186 V CA 0.553 62.706 62.300 -0.245 0.000 1.234 186 V CB -0.649 31.046 31.823 -0.212 0.000 1.020 186 V HN 0.274 nan 8.190 nan 0.000 0.491 187 L N 0.674 121.701 121.223 -0.326 0.000 2.017 187 L HA -0.091 4.231 4.340 -0.029 0.000 0.208 187 L C 2.327 179.089 176.870 -0.180 0.000 1.073 187 L CA 2.059 56.719 54.840 -0.300 0.000 0.745 187 L CB -0.593 41.153 42.059 -0.522 0.000 0.894 187 L HN 0.134 nan 8.230 nan 0.000 0.432 188 V N 0.431 120.237 119.914 -0.180 0.000 2.295 188 V HA -0.191 3.911 4.120 -0.029 0.000 0.246 188 V C -0.043 175.977 176.094 -0.123 0.000 1.049 188 V CA 2.234 64.454 62.300 -0.134 0.000 1.024 188 V CB -1.763 29.988 31.823 -0.120 0.000 0.648 188 V HN 0.362 nan 8.190 nan 0.000 0.447 189 P HA -0.122 nan 4.420 nan 0.000 0.216 189 P C 1.976 179.206 177.300 -0.117 0.000 1.153 189 P CA 1.384 64.393 63.100 -0.150 0.000 0.848 189 P CB -0.041 31.523 31.700 -0.227 0.000 0.787 190 L N -1.353 119.813 121.223 -0.096 0.000 2.017 190 L HA -0.172 4.151 4.340 -0.029 0.000 0.208 190 L C 2.469 179.333 176.870 -0.011 0.000 1.073 190 L CA 1.417 56.237 54.840 -0.032 0.000 0.745 190 L CB -0.913 41.161 42.059 0.024 0.000 0.894 190 L HN -0.031 nan 8.230 nan 0.000 0.432 191 L N -0.895 120.310 121.223 -0.030 0.000 2.093 191 L HA -0.224 4.098 4.340 -0.029 0.000 0.208 191 L C 2.541 179.392 176.870 -0.033 0.000 1.085 191 L CA 0.655 55.482 54.840 -0.022 0.000 0.755 191 L CB -0.401 41.635 42.059 -0.039 0.000 0.904 191 L HN 0.284 nan 8.230 nan 0.000 0.435 192 L N -0.313 120.875 121.223 -0.060 0.000 2.093 192 L HA -0.177 4.146 4.340 -0.029 0.000 0.208 192 L C 2.417 179.238 176.870 -0.082 0.000 1.085 192 L CA 1.730 56.521 54.840 -0.081 0.000 0.755 192 L CB -0.324 41.676 42.059 -0.099 0.000 0.904 192 L HN 0.166 nan 8.230 nan 0.000 0.435 193 M N -1.760 117.808 119.600 -0.053 0.000 2.319 193 M HA -0.145 4.318 4.480 -0.029 0.000 0.265 193 M C 1.952 178.311 176.300 0.098 0.000 1.068 193 M CA 1.047 56.341 55.300 -0.009 0.000 1.118 193 M CB -0.200 32.422 32.600 0.036 0.000 1.395 193 M HN 0.342 nan 8.290 nan 0.000 0.435 194 L N 0.153 121.422 121.223 0.077 0.000 2.072 194 L HA 0.054 4.377 4.340 -0.029 0.000 0.205 194 L C 2.252 179.170 176.870 0.080 0.000 1.079 194 L CA 1.925 56.832 54.840 0.112 0.000 0.752 194 L CB -1.221 40.885 42.059 0.077 0.000 0.906 194 L HN 0.199 nan 8.230 nan 0.000 0.436 195 G N -1.101 107.707 108.800 0.013 0.000 2.402 195 G HA2 -0.160 3.782 3.960 -0.029 0.000 0.216 195 G HA3 -0.160 3.782 3.960 -0.029 0.000 0.216 195 G C 1.498 176.366 174.900 -0.053 0.000 1.162 195 G CA 1.014 46.104 45.100 -0.016 0.000 0.777 195 G HN 0.321 nan 8.290 nan 0.000 0.539 196 V N -0.212 119.630 119.914 -0.120 0.000 2.307 196 V HA -0.172 3.930 4.120 -0.029 0.000 0.245 196 V C 2.392 178.360 176.094 -0.211 0.000 1.045 196 V CA 1.455 63.623 62.300 -0.219 0.000 1.024 196 V CB -0.718 30.894 31.823 -0.352 0.000 0.651 196 V HN 0.373 nan 8.190 nan 0.000 0.449 197 Y N -0.095 120.097 120.300 -0.180 0.000 2.181 197 Y HA -0.136 4.396 4.550 -0.030 0.000 0.288 197 Y C 2.313 177.876 175.900 -0.561 0.000 1.146 197 Y CA 1.237 59.080 58.100 -0.430 0.000 1.164 197 Y CB -0.513 37.790 38.460 -0.263 0.000 0.982 197 Y HN 0.113 nan 8.280 nan 0.000 0.515 198 L N -0.525 120.715 121.223 0.028 0.000 2.042 198 L HA -0.286 4.036 4.340 -0.029 0.000 0.210 198 L C 2.631 179.541 176.870 0.068 0.000 1.076 198 L CA 1.707 56.635 54.840 0.147 0.000 0.749 198 L CB -0.436 41.709 42.059 0.143 0.000 0.893 198 L HN 0.146 nan 8.230 nan 0.000 0.432 199 R N 0.462 120.970 120.500 0.013 0.000 2.115 199 R HA -0.126 4.197 4.340 -0.029 0.000 0.230 199 R C 2.254 178.559 176.300 0.009 0.000 1.111 199 R CA 1.127 57.255 56.100 0.047 0.000 0.976 199 R CB -0.126 30.238 30.300 0.106 0.000 0.870 199 R HN 0.299 nan 8.270 nan 0.000 0.445 200 I N -0.010 120.497 120.570 -0.105 0.000 2.179 200 I HA -0.287 3.866 4.170 -0.029 0.000 0.242 200 I C 1.731 177.806 176.117 -0.070 0.000 1.088 200 I CA 1.490 62.687 61.300 -0.172 0.000 1.357 200 I CB -0.307 37.502 38.000 -0.319 0.000 1.051 200 I HN 0.174 nan 8.210 nan 0.000 0.409 201 F N 0.604 120.611 119.950 0.095 0.000 2.113 201 F HA -0.184 4.325 4.527 -0.030 0.000 0.297 201 F C 2.392 178.220 175.800 0.046 0.000 1.103 201 F CA 0.748 58.792 58.000 0.073 0.000 1.248 201 F CB -0.458 38.589 39.000 0.079 0.000 0.999 201 F HN -0.059 nan 8.300 nan 0.000 0.475 202 L N 0.044 121.399 121.223 0.220 0.000 2.187 202 L HA -0.229 4.093 4.340 -0.029 0.000 0.213 202 L C 2.658 179.575 176.870 0.078 0.000 1.100 202 L CA 0.932 55.848 54.840 0.127 0.000 0.765 202 L CB -0.860 41.257 42.059 0.096 0.000 0.904 202 L HN 0.163 nan 8.230 nan 0.000 0.437 203 A N -0.242 122.614 122.820 0.059 0.000 2.014 203 A HA 0.033 4.336 4.320 -0.029 0.000 0.218 203 A C 2.386 179.984 177.584 0.022 0.000 1.163 203 A CA 1.272 53.319 52.037 0.016 0.000 0.652 203 A CB -0.395 18.586 19.000 -0.030 0.000 0.808 203 A HN 0.365 nan 8.150 nan 0.000 0.449 204 A N -1.189 121.669 122.820 0.064 0.000 2.208 204 A HA 0.109 4.412 4.320 -0.029 0.000 0.209 204 A C 1.722 179.341 177.584 0.058 0.000 1.161 204 A CA 0.273 52.350 52.037 0.066 0.000 0.782 204 A CB -0.061 19.007 19.000 0.114 0.000 0.816 204 A HN 0.276 nan 8.150 nan 0.000 0.477 205 R N 0.328 120.863 120.500 0.058 0.000 2.509 205 R HA 0.091 4.413 4.340 -0.029 0.000 0.300 205 R C 0.102 176.414 176.300 0.020 0.000 0.985 205 R CA -0.155 55.971 56.100 0.043 0.000 1.092 205 R CB -0.124 30.209 30.300 0.055 0.000 1.237 205 R HN 0.748 nan 8.270 nan 0.000 0.546 206 R N 0.810 121.314 120.500 0.007 0.000 2.643 206 R HA 0.082 4.404 4.340 -0.029 0.000 0.270 206 R C -0.044 176.230 176.300 -0.044 0.000 1.061 206 R CA -0.246 55.845 56.100 -0.016 0.000 1.107 206 R CB 0.647 30.933 30.300 -0.023 0.000 0.999 206 R HN -0.074 nan 8.270 nan 0.000 0.460 207 Q N 2.570 122.337 119.800 -0.055 0.000 2.313 207 Q HA 0.134 4.456 4.340 -0.029 0.000 0.266 207 Q C -0.656 175.232 176.000 -0.186 0.000 0.989 207 Q CA -0.248 55.500 55.803 -0.092 0.000 0.890 207 Q CB 0.731 29.429 28.738 -0.067 0.000 1.200 207 Q HN 0.568 nan 8.270 nan 0.000 0.396 223 S N 0.206 115.935 115.700 0.048 0.000 2.368 223 S HA -0.087 4.365 4.470 -0.029 0.000 0.224 223 S C 1.435 176.037 174.600 0.003 0.000 1.029 223 S CA 1.894 60.103 58.200 0.014 0.000 0.988 223 S CB -0.073 63.122 63.200 -0.009 0.000 0.838 223 S HN 0.372 nan 8.310 nan 0.000 0.462 224 T N 3.054 117.604 114.554 -0.007 0.000 2.684 224 T HA -0.028 4.304 4.350 -0.029 0.000 0.267 224 T C 1.711 176.414 174.700 0.005 0.000 1.036 224 T CA 1.113 63.203 62.100 -0.015 0.000 1.148 224 T CB -0.444 68.407 68.868 -0.028 0.000 0.863 224 T HN 0.279 nan 8.240 nan 0.000 0.436 225 L N 0.426 121.663 121.223 0.022 0.000 2.109 225 L HA -0.050 4.273 4.340 -0.029 0.000 0.207 225 L C 2.750 179.646 176.870 0.045 0.000 1.086 225 L CA 1.226 56.081 54.840 0.025 0.000 0.760 225 L CB -0.516 41.559 42.059 0.027 0.000 0.910 225 L HN 0.273 nan 8.230 nan 0.000 0.437 226 Q N -0.175 119.653 119.800 0.047 0.000 2.378 226 Q HA -0.101 4.222 4.340 -0.029 0.000 0.205 226 Q C 1.884 177.929 176.000 0.075 0.000 0.954 226 Q CA 0.785 56.625 55.803 0.063 0.000 0.901 226 Q CB 0.269 29.034 28.738 0.045 0.000 0.981 226 Q HN 0.455 nan 8.270 nan 0.000 0.483 227 K N 0.250 120.681 120.400 0.051 0.000 2.284 227 K HA -0.033 4.270 4.320 -0.029 0.000 0.198 227 K C 1.257 177.905 176.600 0.080 0.000 1.048 227 K CA 0.367 56.690 56.287 0.060 0.000 0.987 227 K CB 0.304 32.813 32.500 0.016 0.000 0.800 227 K HN 0.074 nan 8.250 nan 0.000 0.486 228 E N 0.899 121.129 120.200 0.049 0.000 2.485 228 E HA -0.040 4.293 4.350 -0.029 0.000 0.194 228 E C 0.559 177.188 176.600 0.049 0.000 1.098 228 E CA 0.177 56.592 56.400 0.025 0.000 0.878 228 E CB 0.363 30.056 29.700 -0.011 0.000 0.939 228 E HN -0.021 nan 8.360 nan 0.000 0.503 229 V N -1.436 118.545 119.914 0.112 0.000 3.264 229 V HA -0.050 4.052 4.120 -0.029 0.000 0.262 229 V C 1.337 177.560 176.094 0.215 0.000 1.616 229 V CA 0.257 62.654 62.300 0.162 0.000 1.033 229 V CB 0.258 32.197 31.823 0.192 0.000 0.865 229 V HN 0.345 nan 8.190 nan 0.000 0.420 230 H N 2.085 121.220 119.070 0.107 0.000 2.390 230 H HA -0.157 4.381 4.556 -0.030 0.000 0.298 230 H C 2.003 177.403 175.328 0.119 0.000 1.106 230 H CA 2.411 58.517 56.048 0.098 0.000 1.297 230 H CB 0.129 29.930 29.762 0.065 0.000 1.375 230 H HN 0.412 nan 8.280 nan 0.000 0.509 231 A N 0.448 123.284 122.820 0.027 0.000 1.968 231 A HA 0.102 4.405 4.320 -0.029 0.000 0.217 231 A C 2.551 180.174 177.584 0.065 0.000 1.169 231 A CA 1.170 53.208 52.037 0.000 0.000 0.638 231 A CB -1.051 17.999 19.000 0.082 0.000 0.812 231 A HN 0.599 nan 8.150 nan 0.000 0.446 232 A N -0.351 122.557 122.820 0.146 0.000 2.067 232 A HA -0.084 4.219 4.320 -0.029 0.000 0.219 232 A C 2.052 179.809 177.584 0.289 0.000 1.158 232 A CA 1.667 53.862 52.037 0.263 0.000 0.661 232 A CB -0.353 18.813 19.000 0.276 0.000 0.801 232 A HN 0.523 nan 8.150 nan 0.000 0.452 233 K N 0.034 120.561 120.400 0.211 0.000 2.062 233 K HA -0.087 4.215 4.320 -0.029 0.000 0.205 233 K C 2.124 178.720 176.600 -0.008 0.000 1.051 233 K CA 1.397 57.748 56.287 0.105 0.000 0.941 233 K CB -0.141 32.338 32.500 -0.035 0.000 0.719 233 K HN 0.448 nan 8.250 nan 0.000 0.440 234 S N 1.691 117.371 115.700 -0.033 0.000 2.365 234 S HA -0.157 4.296 4.470 -0.029 0.000 0.225 234 S C 1.914 176.542 174.600 0.048 0.000 1.039 234 S CA 1.425 59.627 58.200 0.004 0.000 1.033 234 S CB -0.311 62.909 63.200 0.032 0.000 0.887 234 S HN 0.264 nan 8.310 nan 0.000 0.447 235 L N 1.062 122.337 121.223 0.088 0.000 2.141 235 L HA -0.048 4.275 4.340 -0.029 0.000 0.209 235 L C 2.755 179.593 176.870 -0.053 0.000 1.094 235 L CA 0.994 55.907 54.840 0.122 0.000 0.763 235 L CB -0.689 41.518 42.059 0.247 0.000 0.908 235 L HN 0.320 nan 8.230 nan 0.000 0.437 236 A N 0.386 123.017 122.820 -0.315 0.000 1.969 236 A HA -0.142 4.160 4.320 -0.029 0.000 0.218 236 A C 2.228 179.667 177.584 -0.242 0.000 1.169 236 A CA 1.293 52.921 52.037 -0.681 0.000 0.635 236 A CB -0.613 17.983 19.000 -0.674 0.000 0.810 236 A HN 0.357 nan 8.150 nan 0.000 0.445 237 I N 0.185 120.686 120.570 -0.114 0.000 2.361 237 I HA -0.239 3.913 4.170 -0.029 0.000 0.251 237 I C 2.020 178.131 176.117 -0.011 0.000 1.133 237 I CA 0.734 62.004 61.300 -0.050 0.000 1.413 237 I CB -0.263 37.718 38.000 -0.031 0.000 1.073 237 I HN 0.269 nan 8.210 nan 0.000 0.424 238 I N 0.319 120.891 120.570 0.002 0.000 2.208 238 I HA -0.221 3.931 4.170 -0.029 0.000 0.245 238 I C 2.587 178.759 176.117 0.092 0.000 1.097 238 I CA 1.560 62.889 61.300 0.048 0.000 1.363 238 I CB -1.076 36.971 38.000 0.080 0.000 1.051 238 I HN 0.099 nan 8.210 nan 0.000 0.413 239 V N 1.173 121.120 119.914 0.055 0.000 2.453 239 V HA -0.111 3.992 4.120 -0.029 0.000 0.247 239 V C 2.722 178.900 176.094 0.141 0.000 1.048 239 V CA 1.777 64.130 62.300 0.089 0.000 1.049 239 V CB -1.458 30.399 31.823 0.057 0.000 0.672 239 V HN 0.487 nan 8.190 nan 0.000 0.457 240 G N -0.003 108.842 108.800 0.075 0.000 2.422 240 G HA2 -0.196 3.746 3.960 -0.029 0.000 0.218 240 G HA3 -0.196 3.746 3.960 -0.029 0.000 0.218 240 G C 1.596 176.556 174.900 0.100 0.000 1.146 240 G CA 0.886 46.032 45.100 0.077 0.000 0.769 240 G HN 0.469 nan 8.290 nan 0.000 0.547 241 L N -1.018 120.266 121.223 0.102 0.000 2.109 241 L HA 0.120 4.442 4.340 -0.029 0.000 0.207 241 L C 2.493 179.451 176.870 0.147 0.000 1.086 241 L CA 0.580 55.472 54.840 0.088 0.000 0.760 241 L CB -0.388 41.708 42.059 0.060 0.000 0.910 241 L HN 0.239 nan 8.230 nan 0.000 0.437 242 F N 1.045 121.053 119.950 0.097 0.000 2.069 242 F HA -0.317 4.193 4.527 -0.029 0.000 0.298 242 F C 2.489 178.434 175.800 0.242 0.000 1.113 242 F CA 1.625 59.744 58.000 0.198 0.000 1.214 242 F CB -0.212 38.883 39.000 0.158 0.000 0.978 242 F HN 0.013 nan 8.300 nan 0.000 0.474 243 A N 0.216 123.280 122.820 0.407 0.000 1.908 243 A HA -0.214 4.088 4.320 -0.029 0.000 0.218 243 A C 2.092 179.758 177.584 0.137 0.000 1.181 243 A CA 1.858 54.068 52.037 0.288 0.000 0.627 243 A CB -1.309 17.833 19.000 0.236 0.000 0.818 243 A HN 0.509 nan 8.150 nan 0.000 0.445 244 L N -0.480 120.789 121.223 0.078 0.000 2.083 244 L HA -0.156 4.166 4.340 -0.029 0.000 0.209 244 L C 2.362 179.185 176.870 -0.079 0.000 1.083 244 L CA 2.064 56.907 54.840 0.005 0.000 0.752 244 L CB -0.612 41.444 42.059 -0.006 0.000 0.899 244 L HN 0.478 nan 8.230 nan 0.000 0.433 245 C N -2.192 117.022 119.300 -0.143 0.000 2.468 245 C HA -0.045 4.398 4.460 -0.029 0.000 0.277 245 C C 2.079 176.739 174.990 -0.550 0.000 1.400 245 C CA 0.127 58.932 59.018 -0.354 0.000 1.770 245 C CB -1.422 26.064 27.740 -0.425 0.000 1.905 245 C HN 0.751 nan 8.230 nan 0.000 0.519 246 W N -0.500 120.615 121.300 -0.309 0.000 2.842 246 W HA 0.311 4.953 4.660 -0.030 0.000 0.267 246 W C 2.128 178.556 176.519 -0.152 0.000 1.219 246 W CA -0.314 56.841 57.345 -0.316 0.000 1.458 246 W CB -0.316 28.894 29.460 -0.417 0.000 1.006 246 W HN 0.054 nan 8.180 nan 0.000 0.603 247 L N 0.898 122.212 121.223 0.152 0.000 2.012 247 L HA -0.190 4.133 4.340 -0.029 0.000 0.210 247 L C -0.460 176.379 176.870 -0.052 0.000 1.073 247 L CA 1.565 56.474 54.840 0.115 0.000 0.748 247 L CB -1.999 40.133 42.059 0.121 0.000 0.891 247 L HN -0.138 nan 8.230 nan 0.000 0.431 248 P HA -0.243 nan 4.420 nan 0.000 0.216 248 P C 1.726 178.873 177.300 -0.254 0.000 1.157 248 P CA 1.367 64.358 63.100 -0.182 0.000 0.880 248 P CB -0.007 31.570 31.700 -0.205 0.000 0.791 249 L N -1.239 119.795 121.223 -0.315 0.000 2.046 249 L HA -0.182 4.140 4.340 -0.029 0.000 0.208 249 L C 2.370 178.992 176.870 -0.414 0.000 1.077 249 L CA 2.014 56.621 54.840 -0.388 0.000 0.747 249 L CB -1.586 40.203 42.059 -0.450 0.000 0.896 249 L HN 0.100 nan 8.230 nan 0.000 0.432 250 H N -0.555 118.285 119.070 -0.382 0.000 2.353 250 H HA -0.069 4.470 4.556 -0.029 0.000 0.300 250 H C 2.373 177.318 175.328 -0.638 0.000 1.090 250 H CA 2.067 57.689 56.048 -0.710 0.000 1.327 250 H CB -0.125 28.838 29.762 -1.332 0.000 1.383 250 H HN 0.384 nan 8.280 nan 0.000 0.508 251 I N 0.447 120.843 120.570 -0.290 0.000 2.252 251 I HA -0.224 3.928 4.170 -0.029 0.000 0.245 251 I C 2.454 178.563 176.117 -0.014 0.000 1.102 251 I CA 0.933 62.185 61.300 -0.080 0.000 1.385 251 I CB -0.258 37.733 38.000 -0.015 0.000 1.064 251 I HN 0.112 nan 8.210 nan 0.000 0.414 252 I N 1.005 121.462 120.570 -0.187 0.000 2.286 252 I HA -0.293 3.859 4.170 -0.029 0.000 0.248 252 I C 2.201 178.250 176.117 -0.113 0.000 1.115 252 I CA 1.246 62.407 61.300 -0.231 0.000 1.392 252 I CB -0.566 37.239 38.000 -0.324 0.000 1.065 252 I HN 0.314 nan 8.210 nan 0.000 0.418 253 N N 0.614 119.226 118.700 -0.147 0.000 2.104 253 N HA -0.168 4.555 4.740 -0.029 0.000 0.190 253 N C 1.899 177.380 175.510 -0.049 0.000 1.024 253 N CA 1.492 54.471 53.050 -0.118 0.000 0.853 253 N CB -0.698 37.675 38.487 -0.190 0.000 1.008 253 N HN 0.387 nan 8.380 nan 0.000 0.424 254 C N 0.135 119.439 119.300 0.007 0.000 2.429 254 C HA -0.053 4.389 4.460 -0.029 0.000 0.277 254 C C 2.492 177.644 174.990 0.270 0.000 1.262 254 C CA 0.061 59.168 59.018 0.147 0.000 1.733 254 C CB -1.455 26.489 27.740 0.340 0.000 2.010 254 C HN 0.271 nan 8.230 nan 0.000 0.483 255 F N 1.592 121.579 119.950 0.061 0.000 2.046 255 F HA -0.190 4.320 4.527 -0.029 0.000 0.297 255 F C 2.655 178.458 175.800 0.005 0.000 1.123 255 F CA 2.226 60.253 58.000 0.044 0.000 1.199 255 F CB -1.445 37.525 39.000 -0.049 0.000 0.972 255 F HN 0.129 nan 8.300 nan 0.000 0.474 256 T N 0.363 114.999 114.554 0.136 0.000 2.635 256 T HA -0.301 4.032 4.350 -0.029 0.000 0.267 256 T C 1.876 176.628 174.700 0.087 0.000 1.040 256 T CA 1.803 63.935 62.100 0.054 0.000 1.156 256 T CB -0.966 67.914 68.868 0.020 0.000 0.863 256 T HN 0.241 nan 8.240 nan 0.000 0.430 257 F N 0.313 120.175 119.950 -0.146 0.000 2.075 257 F HA -0.074 4.436 4.527 -0.029 0.000 0.297 257 F C 1.790 177.429 175.800 -0.268 0.000 1.113 257 F CA 1.422 59.248 58.000 -0.291 0.000 1.218 257 F CB -0.163 38.474 39.000 -0.606 0.000 0.984 257 F HN 0.135 nan 8.300 nan 0.000 0.472 258 F N -1.757 118.178 119.950 -0.025 0.000 2.569 258 F HA 0.058 4.567 4.527 -0.029 0.000 0.295 258 F C 1.097 176.818 175.800 -0.132 0.000 1.115 258 F CA -0.022 57.897 58.000 -0.136 0.000 1.450 258 F CB 0.131 39.102 39.000 -0.048 0.000 1.107 258 F HN -0.115 nan 8.300 nan 0.000 0.563 259 C N 2.244 121.575 119.300 0.052 0.000 2.787 259 C HA 0.368 4.811 4.460 -0.029 0.000 0.265 259 C C -1.230 173.770 174.990 0.016 0.000 1.190 259 C CA -2.051 56.978 59.018 0.019 0.000 1.616 259 C CB -0.918 26.825 27.740 0.006 0.000 1.732 259 C HN 0.084 nan 8.230 nan 0.000 0.433 260 P HA -0.107 nan 4.420 nan 0.000 0.215 260 P C 0.720 178.035 177.300 0.024 0.000 1.153 260 P CA 1.579 64.678 63.100 -0.001 0.000 0.853 260 P CB 0.057 31.740 31.700 -0.027 0.000 0.788 261 D N -2.169 118.242 120.400 0.020 0.000 2.395 261 D HA 0.039 4.662 4.640 -0.029 0.000 0.226 261 D C -0.308 176.012 176.300 0.034 0.000 1.146 261 D CA -0.452 53.564 54.000 0.026 0.000 0.830 261 D CB -1.330 39.481 40.800 0.017 0.000 0.958 261 D HN 0.037 nan 8.370 nan 0.000 0.501 262 C N 0.888 120.213 119.300 0.043 0.000 2.382 262 C HA 0.615 5.057 4.460 -0.029 0.000 0.363 262 C C 0.843 175.869 174.990 0.060 0.000 1.213 262 C CA -0.897 58.152 59.018 0.051 0.000 2.363 262 C CB 1.041 28.818 27.740 0.062 0.000 2.397 262 C HN 0.481 nan 8.230 nan 0.000 0.573 263 S N 2.235 117.969 115.700 0.057 0.000 2.515 263 S HA 0.027 4.479 4.470 -0.029 0.000 0.285 263 S C -0.032 174.609 174.600 0.069 0.000 1.265 263 S CA 0.022 58.261 58.200 0.065 0.000 1.079 263 S CB -0.068 63.164 63.200 0.053 0.000 0.877 263 S HN 0.841 nan 8.310 nan 0.000 0.493 264 H N 2.704 121.774 119.070 -0.000 0.000 2.929 264 H HA 0.209 4.747 4.556 -0.029 0.000 0.358 264 H C 0.775 176.062 175.328 -0.068 0.000 1.111 264 H CA 0.719 56.752 56.048 -0.024 0.000 1.409 264 H CB 0.530 30.274 29.762 -0.030 0.000 1.373 264 H HN 0.969 nan 8.280 nan 0.000 0.610 265 A N 6.399 129.007 122.820 -0.353 0.000 2.546 265 A HA 0.161 4.463 4.320 -0.029 0.000 0.243 265 A C -1.952 175.594 177.584 -0.063 0.000 1.063 265 A CA -1.000 50.886 52.037 -0.252 0.000 0.757 265 A CB -0.457 18.286 19.000 -0.429 0.000 0.991 265 A HN 0.556 nan 8.150 nan 0.000 0.503 266 P HA 0.021 nan 4.420 nan 0.000 0.268 266 P C 0.961 178.098 177.300 -0.270 0.000 1.208 266 P CA -0.170 62.817 63.100 -0.189 0.000 0.777 266 P CB 0.470 32.031 31.700 -0.232 0.000 0.875 267 L N 0.838 122.022 121.223 -0.064 0.000 2.079 267 L HA -0.151 4.171 4.340 -0.029 0.000 0.210 267 L C 2.682 179.593 176.870 0.069 0.000 1.081 267 L CA 1.691 56.548 54.840 0.029 0.000 0.752 267 L CB -0.972 41.174 42.059 0.144 0.000 0.896 267 L HN 0.612 nan 8.230 nan 0.000 0.433 268 W N 0.565 121.903 121.300 0.063 0.000 2.358 268 W HA -0.238 4.404 4.660 -0.029 0.000 0.303 268 W C 2.062 178.593 176.519 0.020 0.000 1.208 268 W CA 0.524 57.896 57.345 0.044 0.000 1.274 268 W CB -0.954 28.512 29.460 0.010 0.000 1.138 268 W HN 0.133 nan 8.180 nan 0.000 0.515 269 L N 1.383 121.926 121.223 -1.133 0.000 2.093 269 L HA -0.111 4.212 4.340 -0.029 0.000 0.208 269 L C 2.667 179.242 176.870 -0.492 0.000 1.085 269 L CA 2.160 56.351 54.840 -1.082 0.000 0.755 269 L CB -1.008 40.200 42.059 -1.418 0.000 0.904 269 L HN -0.065 nan 8.230 nan 0.000 0.435 270 M N -1.250 118.099 119.600 -0.419 0.000 2.067 270 M HA -0.217 4.245 4.480 -0.029 0.000 0.260 270 M C 2.009 178.080 176.300 -0.383 0.000 1.069 270 M CA 1.941 57.007 55.300 -0.390 0.000 1.117 270 M CB -0.628 31.733 32.600 -0.399 0.000 1.334 270 M HN 0.301 nan 8.290 nan 0.000 0.407 271 Y N -1.046 119.143 120.300 -0.184 0.000 2.571 271 Y HA -0.044 4.488 4.550 -0.029 0.000 0.294 271 Y C 2.035 177.905 175.900 -0.050 0.000 1.141 271 Y CA 0.804 58.822 58.100 -0.137 0.000 1.308 271 Y CB -0.426 37.896 38.460 -0.230 0.000 1.002 271 Y HN 0.239 nan 8.280 nan 0.000 0.551 272 L N -0.866 120.384 121.223 0.045 0.000 2.131 272 L HA -0.070 4.252 4.340 -0.029 0.000 0.206 272 L C 2.404 179.211 176.870 -0.105 0.000 1.087 272 L CA 1.191 56.049 54.840 0.030 0.000 0.767 272 L CB -0.285 41.828 42.059 0.090 0.000 0.917 272 L HN 0.171 nan 8.230 nan 0.000 0.441 273 A N -0.162 122.534 122.820 -0.206 0.000 1.968 273 A HA -0.106 4.196 4.320 -0.029 0.000 0.217 273 A C 2.103 179.448 177.584 -0.397 0.000 1.169 273 A CA 1.319 53.174 52.037 -0.303 0.000 0.638 273 A CB -0.615 18.183 19.000 -0.338 0.000 0.812 273 A HN 0.479 nan 8.150 nan 0.000 0.446 274 I N -0.649 119.711 120.570 -0.351 0.000 2.286 274 I HA -0.170 3.983 4.170 -0.029 0.000 0.245 274 I C 2.297 178.113 176.117 -0.502 0.000 1.104 274 I CA 0.869 61.901 61.300 -0.447 0.000 1.397 274 I CB -0.245 37.608 38.000 -0.245 0.000 1.072 274 I HN 0.130 nan 8.210 nan 0.000 0.417 275 V N 0.901 120.723 119.914 -0.154 0.000 2.343 275 V HA -0.281 3.821 4.120 -0.029 0.000 0.247 275 V C 2.426 178.399 176.094 -0.202 0.000 1.051 275 V CA 1.680 63.946 62.300 -0.057 0.000 1.036 275 V CB -0.585 31.272 31.823 0.057 0.000 0.654 275 V HN 0.371 nan 8.190 nan 0.000 0.451 276 L N 1.349 122.410 121.223 -0.270 0.000 2.012 276 L HA -0.176 4.146 4.340 -0.029 0.000 0.210 276 L C 2.715 179.285 176.870 -0.499 0.000 1.073 276 L CA 2.662 57.313 54.840 -0.315 0.000 0.748 276 L CB -0.921 40.960 42.059 -0.296 0.000 0.891 276 L HN 0.515 nan 8.230 nan 0.000 0.431 277 S N -2.029 113.191 115.700 -0.800 0.000 2.399 277 S HA -0.244 4.208 4.470 -0.029 0.000 0.231 277 S C 1.899 175.964 174.600 -0.893 0.000 1.022 277 S CA 1.380 58.760 58.200 -1.367 0.000 0.983 277 S CB -1.159 60.770 63.200 -2.118 0.000 0.803 277 S HN 0.737 nan 8.310 nan 0.000 0.480 278 H N 0.730 119.531 119.070 -0.449 0.000 2.462 278 H HA 0.065 4.603 4.556 -0.029 0.000 0.292 278 H C 2.069 177.308 175.328 -0.147 0.000 1.049 278 H CA 1.254 57.175 56.048 -0.211 0.000 1.334 278 H CB -0.174 29.509 29.762 -0.132 0.000 1.404 278 H HN 0.396 nan 8.280 nan 0.000 0.544 279 T N 0.366 114.873 114.554 -0.078 0.000 2.929 279 T HA -0.173 4.159 4.350 -0.029 0.000 0.271 279 T C 1.773 176.444 174.700 -0.047 0.000 1.085 279 T CA 0.855 62.917 62.100 -0.063 0.000 1.125 279 T CB -0.235 68.572 68.868 -0.102 0.000 0.874 279 T HN 0.516 nan 8.240 nan 0.000 0.494 280 N N 0.876 119.520 118.700 -0.092 0.000 2.443 280 N HA -0.088 4.635 4.740 -0.029 0.000 0.184 280 N C 1.025 176.599 175.510 0.106 0.000 1.037 280 N CA 0.777 53.822 53.050 -0.008 0.000 0.896 280 N CB 0.008 38.467 38.487 -0.047 0.000 0.959 280 N HN 0.223 nan 8.380 nan 0.000 0.442 281 S N -0.384 115.382 115.700 0.111 0.000 2.631 281 S HA 0.099 4.552 4.470 -0.029 0.000 0.217 281 S C 1.406 176.075 174.600 0.116 0.000 0.958 281 S CA -0.209 58.076 58.200 0.142 0.000 0.920 281 S CB 0.658 63.946 63.200 0.148 0.000 0.776 281 S HN 0.184 nan 8.310 nan 0.000 0.517 282 V N 0.367 120.342 119.914 0.103 0.000 3.455 282 V HA 0.039 4.141 4.120 -0.029 0.000 0.250 282 V C 2.111 178.333 176.094 0.214 0.000 1.230 282 V CA 0.610 62.994 62.300 0.140 0.000 1.105 282 V CB 0.168 32.059 31.823 0.113 0.000 0.850 282 V HN 0.494 nan 8.190 nan 0.000 0.461 283 V N -0.889 119.104 119.914 0.132 0.000 2.548 283 V HA -0.102 4.000 4.120 -0.029 0.000 0.249 283 V C 2.153 178.309 176.094 0.104 0.000 1.055 283 V CA 1.957 64.334 62.300 0.129 0.000 1.065 283 V CB -1.070 30.772 31.823 0.032 0.000 0.681 283 V HN 0.457 nan 8.190 nan 0.000 0.462 284 N N 1.668 120.365 118.700 -0.006 0.000 2.036 284 N HA -0.089 4.633 4.740 -0.029 0.000 0.195 284 N C -0.326 174.866 175.510 -0.530 0.000 1.037 284 N CA 2.442 55.322 53.050 -0.283 0.000 0.855 284 N CB -1.967 36.419 38.487 -0.168 0.000 1.033 284 N HN 0.419 nan 8.380 nan 0.000 0.423 285 P HA -0.082 nan 4.420 nan 0.000 0.216 285 P C 1.178 178.379 177.300 -0.165 0.000 1.150 285 P CA 1.017 64.036 63.100 -0.136 0.000 0.837 285 P CB -0.132 31.435 31.700 -0.222 0.000 0.786 286 F N -1.057 118.830 119.950 -0.105 0.000 2.171 286 F HA -0.128 4.381 4.527 -0.029 0.000 0.300 286 F C 2.229 178.033 175.800 0.007 0.000 1.090 286 F CA 1.134 59.099 58.000 -0.059 0.000 1.293 286 F CB -1.001 38.007 39.000 0.015 0.000 1.013 286 F HN -0.164 nan 8.300 nan 0.000 0.486 287 I N -1.467 119.166 120.570 0.105 0.000 2.252 287 I HA -0.304 3.849 4.170 -0.029 0.000 0.245 287 I C 2.039 178.205 176.117 0.081 0.000 1.102 287 I CA 1.063 62.405 61.300 0.070 0.000 1.385 287 I CB -0.659 37.277 38.000 -0.106 0.000 1.064 287 I HN 0.039 nan 8.210 nan 0.000 0.414 288 Y N 1.100 121.429 120.300 0.048 0.000 2.207 288 Y HA -0.209 4.324 4.550 -0.028 0.000 0.287 288 Y C 2.670 178.617 175.900 0.078 0.000 1.156 288 Y CA 0.740 58.800 58.100 -0.067 0.000 1.182 288 Y CB -1.373 36.828 38.460 -0.432 0.000 0.979 288 Y HN 0.124 nan 8.280 nan 0.000 0.521 289 A N -0.756 122.233 122.820 0.282 0.000 1.873 289 A HA -0.186 4.116 4.320 -0.029 0.000 0.215 289 A C 1.941 179.585 177.584 0.100 0.000 1.186 289 A CA 1.538 53.691 52.037 0.193 0.000 0.616 289 A CB -1.163 17.875 19.000 0.063 0.000 0.823 289 A HN 0.430 nan 8.150 nan 0.000 0.442 290 Y N -0.316 120.090 120.300 0.177 0.000 2.220 290 Y HA -0.049 4.483 4.550 -0.030 0.000 0.291 290 Y C 2.630 178.606 175.900 0.128 0.000 1.129 290 Y CA 1.640 59.822 58.100 0.138 0.000 1.161 290 Y CB -0.087 38.442 38.460 0.116 0.000 0.997 290 Y HN 0.240 nan 8.280 nan 0.000 0.522 291 R N -0.829 119.846 120.500 0.291 0.000 2.279 291 R HA 0.288 4.611 4.340 -0.029 0.000 0.195 291 R C -0.151 176.272 176.300 0.204 0.000 0.905 291 R CA 0.263 56.491 56.100 0.214 0.000 1.044 291 R CB 0.579 30.965 30.300 0.143 0.000 1.056 291 R HN 0.149 nan 8.270 nan 0.000 0.535 292 I N 1.756 122.464 120.570 0.229 0.000 2.330 292 I HA 0.211 4.363 4.170 -0.029 0.000 0.289 292 I C 1.404 177.639 176.117 0.196 0.000 1.001 292 I CA -0.402 61.044 61.300 0.242 0.000 1.193 292 I CB 1.789 40.005 38.000 0.360 0.000 1.345 292 I HN 0.032 nan 8.210 nan 0.000 0.461 293 R N 4.124 124.708 120.500 0.140 0.000 2.073 293 R HA -0.188 4.134 4.340 -0.029 0.000 0.234 293 R C 1.705 178.010 176.300 0.008 0.000 1.134 293 R CA 1.877 58.023 56.100 0.077 0.000 0.952 293 R CB 0.156 30.495 30.300 0.065 0.000 0.850 293 R HN 0.644 nan 8.270 nan 0.000 0.433 294 E N -0.545 119.636 120.200 -0.031 0.000 2.268 294 E HA -0.135 4.198 4.350 -0.029 0.000 0.195 294 E C 1.401 177.818 176.600 -0.305 0.000 0.995 294 E CA 1.082 57.388 56.400 -0.157 0.000 0.836 294 E CB -0.079 29.505 29.700 -0.195 0.000 0.763 294 E HN 0.331 nan 8.360 nan 0.000 0.491 295 F N 0.074 119.857 119.950 -0.278 0.000 2.118 295 F HA 0.080 4.590 4.527 -0.029 0.000 0.293 295 F C 2.482 177.780 175.800 -0.836 0.000 1.102 295 F CA 1.274 58.899 58.000 -0.625 0.000 1.247 295 F CB -0.330 38.363 39.000 -0.511 0.000 1.017 295 F HN -0.052 nan 8.300 nan 0.000 0.475 296 R N 0.424 120.818 120.500 -0.176 0.000 2.096 296 R HA -0.228 4.095 4.340 -0.029 0.000 0.240 296 R C 2.095 178.364 176.300 -0.051 0.000 1.139 296 R CA 2.018 58.090 56.100 -0.047 0.000 0.952 296 R CB -0.329 30.002 30.300 0.053 0.000 0.854 296 R HN 0.367 nan 8.270 nan 0.000 0.436 297 Q N -1.052 118.699 119.800 -0.081 0.000 2.119 297 Q HA -0.098 4.225 4.340 -0.029 0.000 0.201 297 Q C 1.908 177.864 176.000 -0.074 0.000 0.972 297 Q CA 1.950 57.718 55.803 -0.058 0.000 0.847 297 Q CB 0.171 28.874 28.738 -0.059 0.000 0.903 297 Q HN 0.397 nan 8.270 nan 0.000 0.433 298 T N 0.551 115.009 114.554 -0.160 0.000 2.857 298 T HA -0.070 4.263 4.350 -0.029 0.000 0.266 298 T C 1.285 175.991 174.700 0.009 0.000 1.048 298 T CA 0.758 62.782 62.100 -0.128 0.000 1.139 298 T CB -0.143 68.594 68.868 -0.218 0.000 0.874 298 T HN 0.125 nan 8.240 nan 0.000 0.455 299 F N 1.816 121.756 119.950 -0.016 0.000 2.075 299 F HA 0.074 4.585 4.527 -0.027 0.000 0.297 299 F C 2.531 178.286 175.800 -0.076 0.000 1.113 299 F CA 0.443 58.415 58.000 -0.047 0.000 1.218 299 F CB -0.932 38.059 39.000 -0.014 0.000 0.984 299 F HN 0.014 nan 8.300 nan 0.000 0.472 300 R N 0.446 121.032 120.500 0.143 0.000 2.103 300 R HA -0.225 4.098 4.340 -0.029 0.000 0.242 300 R C 2.350 178.653 176.300 0.005 0.000 1.142 300 R CA 1.837 57.967 56.100 0.051 0.000 0.960 300 R CB -0.421 29.898 30.300 0.032 0.000 0.858 300 R HN 0.257 nan 8.270 nan 0.000 0.439 301 K N 0.731 121.129 120.400 -0.004 0.000 2.057 301 K HA -0.138 4.164 4.320 -0.029 0.000 0.207 301 K C 2.048 178.616 176.600 -0.054 0.000 1.049 301 K CA 1.357 57.624 56.287 -0.034 0.000 0.931 301 K CB -0.056 32.430 32.500 -0.023 0.000 0.714 301 K HN 0.148 nan 8.250 nan 0.000 0.440 302 I N 0.937 121.472 120.570 -0.058 0.000 2.202 302 I HA -0.262 3.890 4.170 -0.029 0.000 0.242 302 I C 2.310 178.342 176.117 -0.141 0.000 1.091 302 I CA 1.041 62.254 61.300 -0.146 0.000 1.368 302 I CB -0.183 37.517 38.000 -0.499 0.000 1.058 302 I HN 0.170 nan 8.210 nan 0.000 0.410 303 I N 0.375 120.885 120.570 -0.101 0.000 2.226 303 I HA -0.270 3.883 4.170 -0.029 0.000 0.245 303 I C 2.699 178.788 176.117 -0.046 0.000 1.100 303 I CA 1.442 62.703 61.300 -0.065 0.000 1.374 303 I CB -0.354 37.618 38.000 -0.046 0.000 1.057 303 I HN 0.151 nan 8.210 nan 0.000 0.413 304 R N -0.115 120.353 120.500 -0.053 0.000 2.093 304 R HA -0.033 4.289 4.340 -0.029 0.000 0.224 304 R C 2.499 178.746 176.300 -0.088 0.000 1.101 304 R CA 1.319 57.387 56.100 -0.054 0.000 0.979 304 R CB -0.035 30.238 30.300 -0.045 0.000 0.877 304 R HN 0.203 nan 8.270 nan 0.000 0.441 305 S N -0.879 114.723 115.700 -0.163 0.000 2.355 305 S HA -0.030 4.423 4.470 -0.029 0.000 0.216 305 S C 1.469 175.895 174.600 -0.290 0.000 1.037 305 S CA 0.878 58.902 58.200 -0.293 0.000 0.955 305 S CB -0.042 62.855 63.200 -0.505 0.000 0.877 305 S HN 0.432 nan 8.310 nan 0.000 0.488 306 H N -0.216 118.842 119.070 -0.021 0.000 2.520 306 H HA 0.272 4.810 4.556 -0.030 0.000 0.279 306 H C 1.830 177.213 175.328 0.092 0.000 0.990 306 H CA 0.687 56.774 56.048 0.065 0.000 1.288 306 H CB 0.104 29.939 29.762 0.122 0.000 1.446 306 H HN 0.107 nan 8.280 nan 0.000 0.538 307 V N 0.150 120.138 119.914 0.124 0.000 2.341 307 V HA -0.103 4.000 4.120 -0.029 0.000 0.240 307 V C 1.708 177.840 176.094 0.064 0.000 1.035 307 V CA 0.948 63.313 62.300 0.109 0.000 1.033 307 V CB -0.156 31.703 31.823 0.060 0.000 0.678 307 V HN 0.228 nan 8.190 nan 0.000 0.464 308 L N -0.242 120.997 121.223 0.026 0.000 2.395 308 L HA 0.177 4.499 4.340 -0.029 0.000 0.218 308 L C 1.296 178.175 176.870 0.014 0.000 1.130 308 L CA 0.917 55.766 54.840 0.015 0.000 0.826 308 L CB -0.882 41.177 42.059 -0.000 0.000 0.941 308 L HN 0.325 nan 8.230 nan 0.000 0.451 309 R N -0.091 120.416 120.500 0.011 0.000 3.770 309 R HA -0.202 4.120 4.340 -0.029 0.000 0.305 309 R C -0.028 176.262 176.300 -0.017 0.000 1.184 309 R CA 0.791 56.893 56.100 0.003 0.000 0.823 309 R CB -1.974 28.343 30.300 0.028 0.000 1.285 309 R HN 0.566 nan 8.270 nan 0.000 0.499 1003 I N -0.762 119.768 120.570 -0.067 0.000 2.335 1003 I HA -0.139 4.014 4.170 -0.029 0.000 0.251 1003 I C 1.383 177.572 176.117 0.121 0.000 1.129 1003 I CA 1.353 62.772 61.300 0.199 0.000 1.402 1003 I CB -0.131 38.118 38.000 0.415 0.000 1.069 1003 I HN 0.538 nan 8.210 nan 0.000 0.424 1004 F N 1.909 121.787 119.950 -0.120 0.000 2.128 1004 F HA -0.170 4.344 4.527 -0.021 0.000 0.295 1004 F C 2.379 177.873 175.800 -0.510 0.000 1.100 1004 F CA 1.503 59.172 58.000 -0.551 0.000 1.260 1004 F CB -0.262 38.524 39.000 -0.356 0.000 1.009 1004 F HN 0.045 nan 8.300 nan 0.000 0.476 1005 E N 0.298 120.251 120.200 -0.412 0.000 2.274 1005 E HA -0.210 4.123 4.350 -0.029 0.000 0.194 1005 E C 2.245 178.582 176.600 -0.438 0.000 0.996 1005 E CA 0.997 57.124 56.400 -0.455 0.000 0.840 1005 E CB -0.588 28.935 29.700 -0.296 0.000 0.772 1005 E HN 0.555 nan 8.360 nan 0.000 0.491 1006 M N 0.158 119.482 119.600 -0.460 0.000 2.077 1006 M HA -0.145 4.318 4.480 -0.029 0.000 0.261 1006 M C 1.699 177.837 176.300 -0.270 0.000 1.070 1006 M CA 1.353 56.356 55.300 -0.494 0.000 1.125 1006 M CB 0.073 32.438 32.600 -0.392 0.000 1.339 1006 M HN 0.064 nan 8.290 nan 0.000 0.409 1007 L N -0.201 120.868 121.223 -0.257 0.000 2.395 1007 L HA 0.002 4.325 4.340 -0.029 0.000 0.218 1007 L C 2.436 179.124 176.870 -0.304 0.000 1.130 1007 L CA 0.871 55.609 54.840 -0.171 0.000 0.826 1007 L CB -0.703 41.320 42.059 -0.059 0.000 0.941 1007 L HN 0.316 nan 8.230 nan 0.000 0.451 1008 R N 0.220 120.399 120.500 -0.535 0.000 2.152 1008 R HA -0.123 4.199 4.340 -0.029 0.000 0.232 1008 R C 2.012 178.161 176.300 -0.252 0.000 1.117 1008 R CA 1.410 57.203 56.100 -0.512 0.000 0.981 1008 R CB -0.112 29.751 30.300 -0.728 0.000 0.870 1008 R HN 0.352 nan 8.270 nan 0.000 0.451 1009 I N -0.041 120.441 120.570 -0.146 0.000 2.703 1009 I HA -0.117 4.036 4.170 -0.029 0.000 0.259 1009 I C 1.201 177.336 176.117 0.029 0.000 1.151 1009 I CA 0.605 61.894 61.300 -0.018 0.000 1.470 1009 I CB -0.035 38.036 38.000 0.119 0.000 1.112 1009 I HN 0.085 nan 8.210 nan 0.000 0.437 1010 D N 0.628 121.070 120.400 0.070 0.000 2.213 1010 D HA -0.065 4.557 4.640 -0.029 0.000 0.205 1010 D C 1.765 178.093 176.300 0.047 0.000 0.961 1010 D CA 1.113 55.173 54.000 0.100 0.000 0.853 1010 D CB 0.225 41.140 40.800 0.191 0.000 0.967 1010 D HN 0.362 nan 8.370 nan 0.000 0.496 1011 E N -0.508 119.690 120.200 -0.002 0.000 2.485 1011 E HA 0.358 4.690 4.350 -0.029 0.000 0.213 1011 E C 0.694 177.265 176.600 -0.048 0.000 0.923 1011 E CA 0.181 56.578 56.400 -0.005 0.000 1.054 1011 E CB 1.715 31.420 29.700 0.007 0.000 1.077 1011 E HN 0.130 nan 8.360 nan 0.000 0.509 1012 G N 1.729 110.468 108.800 -0.101 0.000 2.699 1012 G HA2 -0.151 3.791 3.960 -0.029 0.000 0.686 1012 G HA3 -0.151 3.791 3.960 -0.029 0.000 0.686 1012 G C -1.345 173.468 174.900 -0.145 0.000 1.301 1012 G CA -0.620 44.405 45.100 -0.126 0.000 0.816 1012 G HN 0.056 nan 8.290 nan 0.000 0.595 1013 L N 0.801 121.939 121.223 -0.141 0.000 2.356 1013 L HA 0.906 5.228 4.340 -0.029 0.000 0.277 1013 L C -0.061 176.772 176.870 -0.062 0.000 0.996 1013 L CA -0.954 53.826 54.840 -0.100 0.000 0.822 1013 L CB 1.560 43.550 42.059 -0.115 0.000 1.256 1013 L HN 0.715 nan 8.230 nan 0.000 0.413 1014 R N 5.811 126.314 120.500 0.005 0.000 2.561 1014 R HA 0.463 4.785 4.340 -0.029 0.000 0.297 1014 R C -0.161 176.199 176.300 0.100 0.000 0.969 1014 R CA -0.509 55.609 56.100 0.031 0.000 0.879 1014 R CB 1.833 32.158 30.300 0.043 0.000 1.178 1014 R HN 0.787 nan 8.270 nan 0.000 0.445 1015 L N 1.264 122.532 121.223 0.075 0.000 2.693 1015 L HA 0.280 4.603 4.340 -0.029 0.000 0.235 1015 L C 0.126 177.048 176.870 0.086 0.000 1.127 1015 L CA 0.485 55.370 54.840 0.075 0.000 0.914 1015 L CB 0.205 42.294 42.059 0.049 0.000 1.193 1015 L HN 0.249 nan 8.230 nan 0.000 0.502 1016 K N 1.001 121.469 120.400 0.114 0.000 2.324 1016 K HA 0.489 4.791 4.320 -0.029 0.000 0.253 1016 K C -0.381 176.343 176.600 0.207 0.000 0.932 1016 K CA -0.782 55.579 56.287 0.124 0.000 0.799 1016 K CB 2.822 35.381 32.500 0.098 0.000 1.154 1016 K HN -0.076 nan 8.250 nan 0.000 0.425 1017 I N 3.995 124.663 120.570 0.164 0.000 2.826 1017 I HA -0.127 4.026 4.170 -0.029 0.000 0.295 1017 I C -0.054 176.230 176.117 0.278 0.000 1.213 1017 I CA 0.507 61.914 61.300 0.179 0.000 1.436 1017 I CB -0.447 37.609 38.000 0.094 0.000 1.348 1017 I HN 0.600 nan 8.210 nan 0.000 0.570 1018 Y N 4.407 124.808 120.300 0.168 0.000 2.669 1018 Y HA 0.642 5.174 4.550 -0.029 0.000 0.335 1018 Y C -1.065 174.906 175.900 0.119 0.000 1.116 1018 Y CA -1.570 56.611 58.100 0.135 0.000 1.081 1018 Y CB 1.000 39.506 38.460 0.077 0.000 1.297 1018 Y HN 0.259 nan 8.280 nan 0.000 0.484 1019 K N 2.329 122.795 120.400 0.111 0.000 2.183 1019 K HA 0.196 4.499 4.320 -0.029 0.000 0.274 1019 K C -0.870 175.770 176.600 0.068 0.000 1.009 1019 K CA -0.805 55.424 56.287 -0.096 0.000 0.888 1019 K CB 1.024 33.428 32.500 -0.160 0.000 1.078 1019 K HN 0.826 nan 8.250 nan 0.000 0.459 1020 D N 0.759 121.134 120.400 -0.041 0.000 2.398 1020 D HA -0.072 4.551 4.640 -0.029 0.000 0.264 1020 D C 1.143 177.463 176.300 0.034 0.000 1.263 1020 D CA -0.192 53.866 54.000 0.096 0.000 1.037 1020 D CB -0.057 40.786 40.800 0.073 0.000 1.101 1020 D HN 0.561 nan 8.370 nan 0.000 0.551 1021 T N -2.970 111.612 114.554 0.046 0.000 2.881 1021 T HA -0.194 4.139 4.350 -0.029 0.000 0.270 1021 T C 1.049 175.709 174.700 -0.067 0.000 1.068 1021 T CA 1.456 63.559 62.100 0.005 0.000 1.131 1021 T CB -0.544 68.341 68.868 0.028 0.000 0.871 1021 T HN 0.701 nan 8.240 nan 0.000 0.479 1022 E N 1.014 121.136 120.200 -0.129 0.000 2.499 1022 E HA 0.441 4.773 4.350 -0.029 0.000 0.199 1022 E C 1.137 177.401 176.600 -0.559 0.000 1.016 1022 E CA -0.178 56.050 56.400 -0.287 0.000 0.933 1022 E CB -0.179 29.369 29.700 -0.253 0.000 1.050 1022 E HN 0.496 nan 8.360 nan 0.000 0.462 1023 G N 1.251 109.819 108.800 -0.386 0.000 2.198 1023 G HA2 -0.311 3.632 3.960 -0.029 0.000 0.257 1023 G HA3 -0.311 3.632 3.960 -0.029 0.000 0.257 1023 G C -0.526 174.073 174.900 -0.502 0.000 1.042 1023 G CA 0.043 44.897 45.100 -0.410 0.000 0.791 1023 G HN 0.442 nan 8.290 nan 0.000 0.502 1024 Y N -0.997 119.177 120.300 -0.210 0.000 2.360 1024 Y HA 0.539 5.071 4.550 -0.030 0.000 0.337 1024 Y C 0.853 176.590 175.900 -0.272 0.000 1.039 1024 Y CA -1.518 56.451 58.100 -0.218 0.000 1.109 1024 Y CB 1.075 39.473 38.460 -0.103 0.000 1.201 1024 Y HN 0.193 nan 8.280 nan 0.000 0.458 1025 Y N 2.127 122.469 120.300 0.070 0.000 2.632 1025 Y HA 0.130 4.664 4.550 -0.027 0.000 0.329 1025 Y C 0.505 176.317 175.900 -0.146 0.000 1.174 1025 Y CA 0.492 58.556 58.100 -0.061 0.000 1.469 1025 Y CB 0.397 38.846 38.460 -0.017 0.000 1.242 1025 Y HN 0.507 nan 8.280 nan 0.000 0.540 1026 T N 4.843 119.262 114.554 -0.225 0.000 2.883 1026 T HA 0.697 5.029 4.350 -0.029 0.000 0.301 1026 T C -1.150 173.353 174.700 -0.329 0.000 1.158 1026 T CA -0.728 61.162 62.100 -0.349 0.000 1.007 1026 T CB 2.060 70.558 68.868 -0.617 0.000 1.186 1026 T HN 0.553 nan 8.240 nan 0.000 0.499 1027 I N -0.463 120.116 120.570 0.014 0.000 3.181 1027 I HA 0.571 4.723 4.170 -0.029 0.000 0.311 1027 I C 0.595 176.868 176.117 0.261 0.000 1.287 1027 I CA 0.207 61.630 61.300 0.205 0.000 0.958 1027 I CB 1.661 39.747 38.000 0.143 0.000 1.294 1027 I HN 0.914 nan 8.210 nan 0.000 0.467 1028 G N 3.782 112.722 108.800 0.234 0.000 2.556 1028 G HA2 -0.274 3.669 3.960 -0.029 0.000 0.283 1028 G HA3 -0.274 3.669 3.960 -0.029 0.000 0.283 1028 G C -0.178 174.838 174.900 0.193 0.000 1.177 1028 G CA 0.265 45.479 45.100 0.189 0.000 0.978 1028 G HN 0.708 nan 8.290 nan 0.000 0.554 1029 I N 2.793 123.473 120.570 0.182 0.000 2.316 1029 I HA 0.439 4.592 4.170 -0.029 0.000 0.286 1029 I C 1.476 177.689 176.117 0.160 0.000 1.107 1029 I CA 0.727 62.093 61.300 0.109 0.000 1.219 1029 I CB 0.195 38.178 38.000 -0.028 0.000 1.455 1029 I HN 1.739 nan 8.210 nan 0.000 0.498 1030 G N 3.901 112.820 108.800 0.199 0.000 2.258 1030 G HA2 -0.343 3.599 3.960 -0.029 0.000 0.274 1030 G HA3 -0.343 3.599 3.960 -0.029 0.000 0.274 1030 G C 0.190 175.173 174.900 0.137 0.000 1.021 1030 G CA 0.222 45.424 45.100 0.171 0.000 0.798 1030 G HN 0.821 nan 8.290 nan 0.000 0.507 1031 H N -0.438 118.682 119.070 0.084 0.000 2.969 1031 H HA 0.539 5.077 4.556 -0.030 0.000 0.269 1031 H C 0.817 176.158 175.328 0.023 0.000 1.223 1031 H CA -0.768 55.314 56.048 0.057 0.000 1.400 1031 H CB 0.282 30.091 29.762 0.077 0.000 1.500 1031 H HN 0.413 nan 8.280 nan 0.000 0.486 1032 L N 5.684 126.799 121.223 -0.181 0.000 2.455 1032 L HA 0.059 4.382 4.340 -0.029 0.000 0.272 1032 L C -0.018 176.779 176.870 -0.121 0.000 1.174 1032 L CA -0.022 54.745 54.840 -0.120 0.000 0.869 1032 L CB 0.459 42.450 42.059 -0.114 0.000 1.130 1032 L HN 0.811 nan 8.230 nan 0.000 0.474 1033 L N 3.377 124.607 121.223 0.010 0.000 2.200 1033 L HA 0.235 4.558 4.340 -0.029 0.000 0.200 1033 L C 0.835 177.712 176.870 0.013 0.000 1.072 1033 L CA 0.635 55.508 54.840 0.056 0.000 0.787 1033 L CB 0.053 42.168 42.059 0.093 0.000 0.957 1033 L HN 0.762 nan 8.230 nan 0.000 0.459 1034 T N -1.819 112.749 114.554 0.024 0.000 2.886 1034 T HA 0.225 4.558 4.350 -0.029 0.000 0.330 1034 T C -0.547 174.141 174.700 -0.019 0.000 1.488 1034 T CA -0.624 61.474 62.100 -0.005 0.000 1.054 1034 T CB 1.665 70.555 68.868 0.037 0.000 1.348 1034 T HN -0.036 nan 8.240 nan 0.000 0.489 1035 K N 1.138 121.456 120.400 -0.137 0.000 2.404 1035 K HA 0.273 4.575 4.320 -0.029 0.000 0.194 1035 K C 0.744 177.404 176.600 0.100 0.000 1.023 1035 K CA -0.101 56.052 56.287 -0.223 0.000 1.094 1035 K CB 0.436 32.612 32.500 -0.539 0.000 0.841 1035 K HN 0.414 nan 8.250 nan 0.000 0.523 1036 S N 1.772 117.537 115.700 0.109 0.000 2.564 1036 S HA 0.124 4.576 4.470 -0.029 0.000 0.278 1036 S C -2.143 172.597 174.600 0.233 0.000 1.333 1036 S CA -1.375 56.907 58.200 0.136 0.000 1.048 1036 S CB 0.563 63.817 63.200 0.089 0.000 0.900 1036 S HN -0.042 nan 8.310 nan 0.000 0.505 1037 P HA 0.175 nan 4.420 nan 0.000 0.258 1037 P C -0.831 176.627 177.300 0.263 0.000 1.559 1037 P CA 0.077 63.303 63.100 0.209 0.000 0.855 1037 P CB -0.026 31.744 31.700 0.117 0.000 1.594 1038 S N 0.341 116.205 115.700 0.274 0.000 2.707 1038 S HA 0.263 4.716 4.470 -0.029 0.000 0.312 1038 S C 0.722 175.218 174.600 -0.174 0.000 1.116 1038 S CA -0.676 57.584 58.200 0.099 0.000 1.078 1038 S CB 0.521 63.741 63.200 0.033 0.000 0.997 1038 S HN -0.052 nan 8.310 nan 0.000 0.477 1039 L N 5.768 126.773 121.223 -0.363 0.000 2.042 1039 L HA -0.027 4.295 4.340 -0.029 0.000 0.210 1039 L C 2.164 178.793 176.870 -0.401 0.000 1.076 1039 L CA 2.287 56.654 54.840 -0.787 0.000 0.749 1039 L CB -0.909 40.928 42.059 -0.369 0.000 0.893 1039 L HN 0.823 nan 8.230 nan 0.000 0.432 1040 N N 0.146 118.728 118.700 -0.196 0.000 2.061 1040 N HA -0.212 4.511 4.740 -0.029 0.000 0.193 1040 N C 1.800 177.244 175.510 -0.111 0.000 1.030 1040 N CA 2.027 55.007 53.050 -0.117 0.000 0.856 1040 N CB -0.393 38.058 38.487 -0.061 0.000 1.023 1040 N HN 0.511 nan 8.380 nan 0.000 0.424 1041 A N 0.295 123.055 122.820 -0.101 0.000 1.902 1041 A HA 0.093 4.395 4.320 -0.029 0.000 0.217 1041 A C 2.410 179.944 177.584 -0.084 0.000 1.181 1041 A CA 2.046 54.044 52.037 -0.065 0.000 0.623 1041 A CB -1.195 17.790 19.000 -0.025 0.000 0.818 1041 A HN 0.471 nan 8.150 nan 0.000 0.443 1042 A N 0.007 122.726 122.820 -0.168 0.000 1.908 1042 A HA -0.193 4.109 4.320 -0.029 0.000 0.218 1042 A C 2.103 179.622 177.584 -0.109 0.000 1.181 1042 A CA 1.867 53.811 52.037 -0.156 0.000 0.627 1042 A CB -0.457 18.320 19.000 -0.371 0.000 0.818 1042 A HN 0.553 nan 8.150 nan 0.000 0.445 1043 K N -0.013 120.305 120.400 -0.137 0.000 2.147 1043 K HA -0.063 4.240 4.320 -0.029 0.000 0.205 1043 K C 2.257 178.830 176.600 -0.046 0.000 1.049 1043 K CA 1.421 57.660 56.287 -0.080 0.000 0.936 1043 K CB -0.159 32.291 32.500 -0.082 0.000 0.722 1043 K HN 0.453 nan 8.250 nan 0.000 0.446 1044 S N 1.220 116.893 115.700 -0.046 0.000 2.383 1044 S HA -0.086 4.366 4.470 -0.029 0.000 0.227 1044 S C 1.658 176.249 174.600 -0.014 0.000 1.026 1044 S CA 0.927 59.111 58.200 -0.026 0.000 0.981 1044 S CB -0.060 63.125 63.200 -0.025 0.000 0.818 1044 S HN 0.261 nan 8.310 nan 0.000 0.472 1045 E N 1.125 121.319 120.200 -0.011 0.000 2.110 1045 E HA -0.088 4.244 4.350 -0.029 0.000 0.193 1045 E C 2.080 178.691 176.600 0.019 0.000 0.988 1045 E CA 0.592 56.997 56.400 0.009 0.000 0.804 1045 E CB -0.438 29.273 29.700 0.019 0.000 0.745 1045 E HN 0.332 nan 8.360 nan 0.000 0.458 1046 L N 1.886 123.114 121.223 0.010 0.000 2.017 1046 L HA -0.156 4.166 4.340 -0.029 0.000 0.208 1046 L C 1.451 178.320 176.870 -0.002 0.000 1.073 1046 L CA 1.897 56.743 54.840 0.009 0.000 0.745 1046 L CB -0.494 41.567 42.059 0.004 0.000 0.894 1046 L HN -0.102 nan 8.230 nan 0.000 0.432 1047 D N -0.517 119.880 120.400 -0.006 0.000 2.218 1047 D HA -0.208 4.415 4.640 -0.029 0.000 0.204 1047 D C 2.105 178.402 176.300 -0.005 0.000 0.976 1047 D CA 1.075 55.070 54.000 -0.008 0.000 0.853 1047 D CB -0.077 40.717 40.800 -0.010 0.000 0.939 1047 D HN 0.417 nan 8.370 nan 0.000 0.481 1048 K N 0.456 120.855 120.400 -0.001 0.000 2.103 1048 K HA -0.014 4.289 4.320 -0.029 0.000 0.204 1048 K C 1.906 178.508 176.600 0.003 0.000 1.052 1048 K CA 1.078 57.367 56.287 0.002 0.000 0.945 1048 K CB 0.066 32.570 32.500 0.007 0.000 0.722 1048 K HN 0.037 nan 8.250 nan 0.000 0.443 1049 A N 1.176 123.999 122.820 0.005 0.000 1.930 1049 A HA -0.031 4.272 4.320 -0.029 0.000 0.215 1049 A C 1.943 179.516 177.584 -0.019 0.000 1.176 1049 A CA 0.843 52.879 52.037 -0.002 0.000 0.632 1049 A CB -0.233 18.766 19.000 -0.002 0.000 0.819 1049 A HN 0.257 nan 8.150 nan 0.000 0.445 1050 I N -1.122 119.435 120.570 -0.021 0.000 2.406 1050 I HA 0.069 4.222 4.170 -0.029 0.000 0.249 1050 I C 1.794 177.902 176.117 -0.016 0.000 1.122 1050 I CA 1.517 62.803 61.300 -0.024 0.000 1.431 1050 I CB -1.748 36.239 38.000 -0.022 0.000 1.087 1050 I HN 0.534 nan 8.210 nan 0.000 0.424 1051 G N 2.603 111.396 108.800 -0.012 0.000 2.164 1051 G HA2 -0.235 3.707 3.960 -0.029 0.000 0.212 1051 G HA3 -0.235 3.707 3.960 -0.029 0.000 0.212 1051 G C 0.279 175.174 174.900 -0.009 0.000 1.031 1051 G CA 0.342 45.436 45.100 -0.009 0.000 0.730 1051 G HN 0.682 nan 8.290 nan 0.000 0.501 1052 R N -2.153 118.342 120.500 -0.009 0.000 2.741 1052 R HA 0.508 4.831 4.340 -0.029 0.000 0.276 1052 R C -0.927 175.368 176.300 -0.008 0.000 1.028 1052 R CA -0.738 55.357 56.100 -0.008 0.000 0.865 1052 R CB 0.001 30.296 30.300 -0.009 0.000 1.268 1052 R HN 0.146 nan 8.270 nan 0.000 0.475 1053 N N 0.609 119.304 118.700 -0.007 0.000 2.402 1053 N HA 0.041 4.763 4.740 -0.029 0.000 0.259 1053 N C 0.574 176.080 175.510 -0.007 0.000 1.167 1053 N CA 0.449 53.495 53.050 -0.008 0.000 0.949 1053 N CB 1.311 39.794 38.487 -0.007 0.000 1.212 1053 N HN 0.681 nan 8.380 nan 0.000 0.493 1054 T N 0.214 114.764 114.554 -0.007 0.000 3.044 1054 T HA 0.048 4.380 4.350 -0.029 0.000 0.255 1054 T C 0.550 175.249 174.700 -0.002 0.000 1.073 1054 T CA 0.064 62.162 62.100 -0.003 0.000 1.125 1054 T CB -0.068 68.799 68.868 -0.002 0.000 0.908 1054 T HN 0.557 nan 8.240 nan 0.000 0.480 1055 N N 1.253 119.949 118.700 -0.007 0.000 2.753 1055 N HA -0.166 4.556 4.740 -0.029 0.000 0.251 1055 N C 0.994 176.502 175.510 -0.004 0.000 1.097 1055 N CA 1.392 54.437 53.050 -0.007 0.000 0.786 1055 N CB -1.751 36.734 38.487 -0.003 0.000 1.137 1055 N HN 1.083 nan 8.380 nan 0.000 0.566 1056 G N -2.527 106.271 108.800 -0.004 0.000 2.159 1056 G HA2 -0.199 3.743 3.960 -0.029 0.000 0.227 1056 G HA3 -0.199 3.743 3.960 -0.029 0.000 0.227 1056 G C -0.292 174.624 174.900 0.026 0.000 0.986 1056 G CA 0.183 45.286 45.100 0.005 0.000 0.651 1056 G HN 0.586 nan 8.290 nan 0.000 0.523 1057 V N 1.923 121.850 119.914 0.022 0.000 2.623 1057 V HA 0.738 4.840 4.120 -0.029 0.000 0.304 1057 V C 0.366 176.473 176.094 0.022 0.000 1.054 1057 V CA -0.450 61.867 62.300 0.029 0.000 0.882 1057 V CB 1.843 33.681 31.823 0.025 0.000 1.002 1057 V HN 0.706 nan 8.190 nan 0.000 0.424 1058 I N 1.310 121.896 120.570 0.027 0.000 3.067 1058 I HA 0.882 5.034 4.170 -0.029 0.000 0.312 1058 I C 0.371 176.499 176.117 0.019 0.000 1.073 1058 I CA -0.649 60.661 61.300 0.017 0.000 1.016 1058 I CB 2.453 40.461 38.000 0.014 0.000 1.227 1058 I HN 0.634 nan 8.210 nan 0.000 0.456 1059 T N -1.167 113.392 114.554 0.008 0.000 2.847 1059 T HA 0.254 4.587 4.350 -0.029 0.000 0.279 1059 T C 0.870 175.576 174.700 0.009 0.000 0.984 1059 T CA -0.469 61.635 62.100 0.007 0.000 0.988 1059 T CB 1.728 70.593 68.868 -0.005 0.000 1.040 1059 T HN 0.932 nan 8.240 nan 0.000 0.528 1060 K N 0.255 120.662 120.400 0.012 0.000 2.032 1060 K HA -0.248 4.055 4.320 -0.029 0.000 0.209 1060 K C 1.798 178.375 176.600 -0.037 0.000 1.048 1060 K CA 2.028 58.328 56.287 0.022 0.000 0.927 1060 K CB -0.510 32.006 32.500 0.027 0.000 0.712 1060 K HN 0.745 nan 8.250 nan 0.000 0.441 1061 D N 0.920 121.282 120.400 -0.062 0.000 2.106 1061 D HA -0.209 4.413 4.640 -0.029 0.000 0.191 1061 D C 1.570 177.808 176.300 -0.103 0.000 0.997 1061 D CA 1.661 55.597 54.000 -0.107 0.000 0.834 1061 D CB -0.079 40.677 40.800 -0.073 0.000 0.956 1061 D HN 0.412 nan 8.370 nan 0.000 0.448 1062 E N -0.097 120.069 120.200 -0.057 0.000 2.153 1062 E HA -0.123 4.209 4.350 -0.029 0.000 0.194 1062 E C 2.101 178.677 176.600 -0.041 0.000 0.988 1062 E CA 0.911 57.283 56.400 -0.047 0.000 0.811 1062 E CB -0.112 29.571 29.700 -0.029 0.000 0.746 1062 E HN 0.337 nan 8.360 nan 0.000 0.466 1063 A N 1.147 123.959 122.820 -0.013 0.000 1.969 1063 A HA -0.226 4.076 4.320 -0.029 0.000 0.218 1063 A C 2.005 179.625 177.584 0.061 0.000 1.169 1063 A CA 1.419 53.486 52.037 0.050 0.000 0.635 1063 A CB -0.294 18.779 19.000 0.122 0.000 0.810 1063 A HN 0.227 nan 8.150 nan 0.000 0.445 1064 E N -0.085 120.025 120.200 -0.150 0.000 2.072 1064 E HA -0.150 4.183 4.350 -0.029 0.000 0.190 1064 E C 1.915 178.453 176.600 -0.103 0.000 0.982 1064 E CA 1.126 57.279 56.400 -0.412 0.000 0.803 1064 E CB -0.072 29.134 29.700 -0.825 0.000 0.755 1064 E HN 0.586 nan 8.360 nan 0.000 0.453 1065 K N 0.201 120.551 120.400 -0.085 0.000 2.097 1065 K HA -0.121 4.181 4.320 -0.029 0.000 0.206 1065 K C 2.196 178.796 176.600 -0.001 0.000 1.049 1065 K CA 1.036 57.301 56.287 -0.037 0.000 0.933 1065 K CB -0.058 32.414 32.500 -0.048 0.000 0.717 1065 K HN 0.197 nan 8.250 nan 0.000 0.442 1066 L N -0.238 120.977 121.223 -0.014 0.000 2.046 1066 L HA -0.180 4.142 4.340 -0.029 0.000 0.208 1066 L C 2.314 179.231 176.870 0.079 0.000 1.077 1066 L CA 1.060 55.864 54.840 -0.062 0.000 0.747 1066 L CB -0.352 41.562 42.059 -0.241 0.000 0.896 1066 L HN 0.140 nan 8.230 nan 0.000 0.432 1067 F N 1.217 121.190 119.950 0.038 0.000 2.134 1067 F HA -0.216 4.292 4.527 -0.032 0.000 0.299 1067 F C 2.305 178.187 175.800 0.136 0.000 1.097 1067 F CA 1.547 59.621 58.000 0.123 0.000 1.264 1067 F CB -0.242 38.915 39.000 0.260 0.000 1.001 1067 F HN 0.099 nan 8.300 nan 0.000 0.479 1068 N N 0.481 119.270 118.700 0.148 0.000 2.069 1068 N HA -0.212 4.510 4.740 -0.029 0.000 0.191 1068 N C 1.778 177.283 175.510 -0.009 0.000 1.031 1068 N CA 1.541 54.622 53.050 0.052 0.000 0.852 1068 N CB -0.686 37.841 38.487 0.067 0.000 1.018 1068 N HN 0.322 nan 8.380 nan 0.000 0.423 1069 Q N 0.729 120.538 119.800 0.014 0.000 2.096 1069 Q HA -0.097 4.225 4.340 -0.029 0.000 0.204 1069 Q C 1.260 177.279 176.000 0.032 0.000 0.982 1069 Q CA 1.317 57.135 55.803 0.025 0.000 0.850 1069 Q CB -0.363 28.401 28.738 0.043 0.000 0.901 1069 Q HN 0.344 nan 8.270 nan 0.000 0.422 1070 D N -1.150 119.272 120.400 0.037 0.000 2.144 1070 D HA -0.109 4.513 4.640 -0.029 0.000 0.199 1070 D C 1.766 178.139 176.300 0.122 0.000 0.984 1070 D CA 0.790 54.849 54.000 0.099 0.000 0.834 1070 D CB -0.067 40.788 40.800 0.091 0.000 0.955 1070 D HN 0.079 nan 8.370 nan 0.000 0.465 1071 V N 1.226 121.128 119.914 -0.019 0.000 2.307 1071 V HA -0.205 3.898 4.120 -0.029 0.000 0.245 1071 V C 1.802 177.865 176.094 -0.053 0.000 1.045 1071 V CA 1.653 63.939 62.300 -0.023 0.000 1.024 1071 V CB -0.408 31.364 31.823 -0.084 0.000 0.651 1071 V HN 0.069 nan 8.190 nan 0.000 0.449 1072 D N 0.629 121.012 120.400 -0.028 0.000 2.133 1072 D HA -0.181 4.442 4.640 -0.029 0.000 0.195 1072 D C 2.198 178.468 176.300 -0.050 0.000 0.997 1072 D CA 1.798 55.783 54.000 -0.026 0.000 0.840 1072 D CB -0.413 40.383 40.800 -0.005 0.000 0.947 1072 D HN 0.447 nan 8.370 nan 0.000 0.452 1073 A N 0.893 123.690 122.820 -0.038 0.000 1.877 1073 A HA -0.032 4.271 4.320 -0.029 0.000 0.216 1073 A C 2.326 179.847 177.584 -0.104 0.000 1.186 1073 A CA 2.325 54.333 52.037 -0.048 0.000 0.620 1073 A CB -0.816 18.177 19.000 -0.012 0.000 0.822 1073 A HN 0.240 nan 8.150 nan 0.000 0.443 1074 A N -0.546 122.179 122.820 -0.159 0.000 1.902 1074 A HA -0.020 4.282 4.320 -0.029 0.000 0.217 1074 A C 2.223 179.639 177.584 -0.279 0.000 1.181 1074 A CA 1.845 53.713 52.037 -0.282 0.000 0.623 1074 A CB -0.951 17.707 19.000 -0.570 0.000 0.818 1074 A HN 0.409 nan 8.150 nan 0.000 0.443 1075 V N -0.128 119.635 119.914 -0.252 0.000 2.343 1075 V HA -0.261 3.841 4.120 -0.029 0.000 0.247 1075 V C 2.623 178.558 176.094 -0.266 0.000 1.051 1075 V CA 2.211 64.323 62.300 -0.313 0.000 1.036 1075 V CB -0.807 30.899 31.823 -0.194 0.000 0.654 1075 V HN 0.516 nan 8.190 nan 0.000 0.451 1076 R N 0.018 120.420 120.500 -0.163 0.000 2.096 1076 R HA -0.105 4.218 4.340 -0.029 0.000 0.235 1076 R C 2.470 178.696 176.300 -0.123 0.000 1.127 1076 R CA 1.442 57.472 56.100 -0.118 0.000 0.968 1076 R CB -0.767 29.488 30.300 -0.074 0.000 0.861 1076 R HN 0.602 nan 8.270 nan 0.000 0.440 1077 G N 1.019 109.738 108.800 -0.135 0.000 2.418 1077 G HA2 -0.220 3.723 3.960 -0.029 0.000 0.217 1077 G HA3 -0.220 3.723 3.960 -0.029 0.000 0.217 1077 G C 1.435 176.251 174.900 -0.140 0.000 1.158 1077 G CA 0.470 45.497 45.100 -0.121 0.000 0.771 1077 G HN 0.171 nan 8.290 nan 0.000 0.545 1078 I N 0.306 120.751 120.570 -0.207 0.000 2.286 1078 I HA -0.104 4.048 4.170 -0.029 0.000 0.248 1078 I C 2.517 178.523 176.117 -0.185 0.000 1.115 1078 I CA 0.708 61.871 61.300 -0.229 0.000 1.392 1078 I CB -0.102 37.659 38.000 -0.399 0.000 1.065 1078 I HN 0.128 nan 8.210 nan 0.000 0.418 1079 L N -0.010 121.099 121.223 -0.190 0.000 2.395 1079 L HA -0.071 4.251 4.340 -0.029 0.000 0.218 1079 L C 2.448 179.281 176.870 -0.061 0.000 1.130 1079 L CA 0.768 55.542 54.840 -0.109 0.000 0.826 1079 L CB -0.381 41.622 42.059 -0.094 0.000 0.941 1079 L HN 0.154 nan 8.230 nan 0.000 0.451 1080 R N -0.566 119.894 120.500 -0.067 0.000 2.240 1080 R HA 0.013 4.336 4.340 -0.029 0.000 0.203 1080 R C 0.784 177.062 176.300 -0.036 0.000 1.011 1080 R CA -0.001 56.073 56.100 -0.044 0.000 1.007 1080 R CB -0.131 30.142 30.300 -0.045 0.000 0.911 1080 R HN 0.221 nan 8.270 nan 0.000 0.468 1081 N N 0.861 119.534 118.700 -0.044 0.000 2.444 1081 N HA 0.068 4.790 4.740 -0.029 0.000 0.271 1081 N C 0.364 175.864 175.510 -0.017 0.000 1.069 1081 N CA 0.079 53.111 53.050 -0.031 0.000 0.965 1081 N CB 1.668 40.133 38.487 -0.037 0.000 1.092 1081 N HN 0.051 nan 8.380 nan 0.000 0.476 1082 A N 4.632 127.446 122.820 -0.010 0.000 2.067 1082 A HA -0.080 4.222 4.320 -0.029 0.000 0.219 1082 A C 1.914 179.500 177.584 0.004 0.000 1.158 1082 A CA 1.169 53.205 52.037 -0.002 0.000 0.661 1082 A CB 0.011 19.009 19.000 -0.003 0.000 0.801 1082 A HN 0.758 nan 8.150 nan 0.000 0.452 1083 K N -0.607 119.795 120.400 0.004 0.000 2.128 1083 K HA 0.189 4.491 4.320 -0.029 0.000 0.202 1083 K C 1.687 178.299 176.600 0.020 0.000 1.050 1083 K CA 0.803 57.096 56.287 0.011 0.000 0.966 1083 K CB -0.186 32.321 32.500 0.011 0.000 0.759 1083 K HN 0.419 nan 8.250 nan 0.000 0.454 1084 L N 1.126 122.358 121.223 0.016 0.000 2.179 1084 L HA -0.065 4.257 4.340 -0.029 0.000 0.208 1084 L C 2.540 179.447 176.870 0.061 0.000 1.096 1084 L CA 0.835 55.693 54.840 0.029 0.000 0.779 1084 L CB -0.289 41.768 42.059 -0.004 0.000 0.922 1084 L HN 0.142 nan 8.230 nan 0.000 0.443 1085 K N 0.783 121.207 120.400 0.040 0.000 2.020 1085 K HA -0.186 4.117 4.320 -0.029 0.000 0.212 1085 K C -0.490 176.173 176.600 0.105 0.000 1.050 1085 K CA 1.769 58.098 56.287 0.070 0.000 0.929 1085 K CB -0.781 31.739 32.500 0.035 0.000 0.714 1085 K HN 0.133 nan 8.250 nan 0.000 0.443 1086 P HA -0.147 nan 4.420 nan 0.000 0.216 1086 P C 1.323 178.662 177.300 0.065 0.000 1.150 1086 P CA 1.069 64.202 63.100 0.055 0.000 0.837 1086 P CB 0.074 31.793 31.700 0.031 0.000 0.786 1087 V N -1.479 118.480 119.914 0.076 0.000 2.323 1087 V HA -0.244 3.859 4.120 -0.029 0.000 0.244 1087 V C 2.349 178.513 176.094 0.117 0.000 1.041 1087 V CA 1.578 63.924 62.300 0.076 0.000 1.025 1087 V CB -1.468 30.392 31.823 0.062 0.000 0.656 1087 V HN 0.015 nan 8.190 nan 0.000 0.451 1088 Y N 1.681 122.000 120.300 0.032 0.000 2.165 1088 Y HA -0.274 4.257 4.550 -0.031 0.000 0.286 1088 Y C 2.306 178.232 175.900 0.043 0.000 1.155 1088 Y CA 2.132 60.257 58.100 0.040 0.000 1.164 1088 Y CB -0.334 38.138 38.460 0.019 0.000 0.978 1088 Y HN 0.306 nan 8.280 nan 0.000 0.513 1089 D N -0.810 119.652 120.400 0.103 0.000 2.218 1089 D HA -0.144 4.479 4.640 -0.029 0.000 0.204 1089 D C 2.316 178.597 176.300 -0.032 0.000 0.976 1089 D CA 1.521 55.534 54.000 0.021 0.000 0.853 1089 D CB -0.358 40.492 40.800 0.084 0.000 0.939 1089 D HN 0.499 nan 8.370 nan 0.000 0.481 1090 S N -0.745 114.954 115.700 -0.003 0.000 2.528 1090 S HA 0.067 4.519 4.470 -0.029 0.000 0.219 1090 S C 0.962 175.585 174.600 0.039 0.000 0.985 1090 S CA -0.237 57.974 58.200 0.019 0.000 0.914 1090 S CB -0.043 63.177 63.200 0.034 0.000 0.776 1090 S HN 0.069 nan 8.310 nan 0.000 0.526 1091 L N 2.925 124.139 121.223 -0.015 0.000 2.421 1091 L HA 0.390 4.713 4.340 -0.029 0.000 0.263 1091 L C 0.489 177.311 176.870 -0.079 0.000 1.122 1091 L CA -0.944 53.899 54.840 0.005 0.000 0.804 1091 L CB 0.483 42.536 42.059 -0.010 0.000 1.150 1091 L HN 0.365 nan 8.230 nan 0.000 0.457 1092 D N 0.992 121.349 120.400 -0.072 0.000 2.411 1092 D HA 0.133 4.755 4.640 -0.029 0.000 0.251 1092 D C 0.760 176.977 176.300 -0.138 0.000 1.201 1092 D CA -0.214 53.725 54.000 -0.102 0.000 0.996 1092 D CB 1.270 42.004 40.800 -0.111 0.000 1.101 1092 D HN 0.545 nan 8.370 nan 0.000 0.504 1093 A N 0.412 123.169 122.820 -0.106 0.000 1.908 1093 A HA -0.129 4.173 4.320 -0.029 0.000 0.218 1093 A C 2.352 179.871 177.584 -0.108 0.000 1.181 1093 A CA 1.710 53.704 52.037 -0.071 0.000 0.627 1093 A CB -0.939 18.061 19.000 -0.001 0.000 0.818 1093 A HN 0.413 nan 8.150 nan 0.000 0.445 1094 V N -0.231 119.545 119.914 -0.230 0.000 2.379 1094 V HA -0.208 3.894 4.120 -0.029 0.000 0.245 1094 V C 2.587 178.420 176.094 -0.435 0.000 1.044 1094 V CA 2.076 64.081 62.300 -0.492 0.000 1.036 1094 V CB -0.750 30.621 31.823 -0.754 0.000 0.664 1094 V HN 0.516 nan 8.190 nan 0.000 0.453 1095 R N -0.366 119.943 120.500 -0.317 0.000 2.148 1095 R HA -0.051 4.272 4.340 -0.029 0.000 0.227 1095 R C 2.481 178.734 176.300 -0.079 0.000 1.103 1095 R CA 0.907 56.874 56.100 -0.222 0.000 0.983 1095 R CB -0.249 29.989 30.300 -0.104 0.000 0.874 1095 R HN 0.482 nan 8.270 nan 0.000 0.451 1096 R N 0.307 120.756 120.500 -0.085 0.000 2.092 1096 R HA -0.049 4.273 4.340 -0.029 0.000 0.231 1096 R C 2.291 178.643 176.300 0.086 0.000 1.119 1096 R CA 1.312 57.409 56.100 -0.005 0.000 0.970 1096 R CB -0.286 29.922 30.300 -0.152 0.000 0.864 1096 R HN 0.169 nan 8.270 nan 0.000 0.440 1097 A N 1.204 124.036 122.820 0.020 0.000 1.933 1097 A HA -0.107 4.195 4.320 -0.029 0.000 0.218 1097 A C 2.323 179.918 177.584 0.018 0.000 1.175 1097 A CA 1.666 53.757 52.037 0.089 0.000 0.628 1097 A CB -0.511 18.590 19.000 0.169 0.000 0.814 1097 A HN 0.395 nan 8.150 nan 0.000 0.444 1098 A N -0.902 121.811 122.820 -0.179 0.000 1.969 1098 A HA 0.071 4.373 4.320 -0.029 0.000 0.218 1098 A C 2.070 179.568 177.584 -0.142 0.000 1.169 1098 A CA 1.549 53.378 52.037 -0.346 0.000 0.635 1098 A CB -0.423 17.946 19.000 -1.050 0.000 0.810 1098 A HN 0.567 nan 8.150 nan 0.000 0.445 1099 L N -0.265 120.998 121.223 0.067 0.000 2.131 1099 L HA 0.059 4.381 4.340 -0.029 0.000 0.206 1099 L C 2.123 179.041 176.870 0.079 0.000 1.087 1099 L CA 1.409 56.382 54.840 0.222 0.000 0.767 1099 L CB -0.326 41.923 42.059 0.317 0.000 0.917 1099 L HN 0.402 nan 8.230 nan 0.000 0.441 1100 I N -0.253 120.358 120.570 0.068 0.000 2.315 1100 I HA -0.267 3.885 4.170 -0.029 0.000 0.248 1100 I C 2.284 178.395 176.117 -0.010 0.000 1.117 1100 I CA 1.071 62.337 61.300 -0.056 0.000 1.404 1100 I CB -0.571 37.423 38.000 -0.010 0.000 1.071 1100 I HN 0.417 nan 8.210 nan 0.000 0.419 1101 N N 1.570 120.357 118.700 0.145 0.000 2.069 1101 N HA -0.203 4.519 4.740 -0.029 0.000 0.191 1101 N C 1.916 177.530 175.510 0.174 0.000 1.031 1101 N CA 1.834 55.035 53.050 0.252 0.000 0.852 1101 N CB -0.103 38.509 38.487 0.208 0.000 1.018 1101 N HN 0.292 nan 8.380 nan 0.000 0.423 1102 M N -0.235 119.384 119.600 0.031 0.000 2.175 1102 M HA -0.101 4.361 4.480 -0.029 0.000 0.264 1102 M C 2.160 178.408 176.300 -0.087 0.000 1.063 1102 M CA 0.912 56.137 55.300 -0.125 0.000 1.119 1102 M CB -0.078 32.333 32.600 -0.315 0.000 1.377 1102 M HN -0.061 nan 8.290 nan 0.000 0.415 1103 V N -0.292 119.568 119.914 -0.089 0.000 2.407 1103 V HA -0.243 3.860 4.120 -0.029 0.000 0.248 1103 V C 1.994 178.054 176.094 -0.057 0.000 1.055 1103 V CA 1.788 64.014 62.300 -0.123 0.000 1.049 1103 V CB -0.753 30.931 31.823 -0.231 0.000 0.662 1103 V HN 0.374 nan 8.190 nan 0.000 0.455 1104 F N -0.259 119.704 119.950 0.021 0.000 2.333 1104 F HA -0.200 4.308 4.527 -0.032 0.000 0.300 1104 F C 2.541 178.379 175.800 0.063 0.000 1.083 1104 F CA 1.652 59.681 58.000 0.048 0.000 1.395 1104 F CB 0.144 39.196 39.000 0.088 0.000 1.056 1104 F HN 0.202 nan 8.300 nan 0.000 0.529 1105 Q N -0.246 119.693 119.800 0.231 0.000 2.387 1105 Q HA 0.002 4.325 4.340 -0.029 0.000 0.212 1105 Q C 1.840 177.915 176.000 0.125 0.000 0.925 1105 Q CA 0.579 56.493 55.803 0.184 0.000 0.901 1105 Q CB 0.291 29.152 28.738 0.204 0.000 1.020 1105 Q HN 0.364 nan 8.270 nan 0.000 0.545 1106 M N -0.614 119.022 119.600 0.060 0.000 2.421 1106 M HA 0.330 4.792 4.480 -0.029 0.000 0.258 1106 M C 0.509 176.833 176.300 0.040 0.000 1.122 1106 M CA 0.498 55.828 55.300 0.049 0.000 1.078 1106 M CB 1.730 34.333 32.600 0.005 0.000 1.380 1106 M HN 0.227 nan 8.290 nan 0.000 0.499 1107 G N 1.506 110.319 108.800 0.023 0.000 2.699 1107 G HA2 -0.157 3.785 3.960 -0.029 0.000 0.686 1107 G HA3 -0.157 3.785 3.960 -0.029 0.000 0.686 1107 G C -0.046 174.843 174.900 -0.018 0.000 1.301 1107 G CA -0.451 44.651 45.100 0.004 0.000 0.816 1107 G HN 0.446 nan 8.290 nan 0.000 0.595 1108 E N -0.261 119.917 120.200 -0.036 0.000 2.106 1108 E HA -0.092 4.240 4.350 -0.029 0.000 0.192 1108 E C 2.488 179.079 176.600 -0.016 0.000 0.984 1108 E CA 1.594 57.968 56.400 -0.044 0.000 0.806 1108 E CB -0.131 29.530 29.700 -0.064 0.000 0.750 1108 E HN 0.525 nan 8.360 nan 0.000 0.458 1109 T N 0.693 115.243 114.554 -0.008 0.000 2.867 1109 T HA -0.067 4.265 4.350 -0.029 0.000 0.268 1109 T C 1.907 176.616 174.700 0.013 0.000 1.057 1109 T CA 1.109 63.209 62.100 -0.000 0.000 1.136 1109 T CB -0.337 68.529 68.868 -0.002 0.000 0.874 1109 T HN 0.377 nan 8.240 nan 0.000 0.466 1110 G N 1.159 109.974 108.800 0.025 0.000 2.404 1110 G HA2 -0.156 3.787 3.960 -0.029 0.000 0.215 1110 G HA3 -0.156 3.787 3.960 -0.029 0.000 0.215 1110 G C 1.664 176.638 174.900 0.123 0.000 1.174 1110 G CA 0.854 45.984 45.100 0.050 0.000 0.780 1110 G HN 0.441 nan 8.290 nan 0.000 0.537 1111 V N 1.634 121.616 119.914 0.114 0.000 2.427 1111 V HA -0.069 4.034 4.120 -0.029 0.000 0.248 1111 V C 3.239 179.465 176.094 0.220 0.000 1.051 1111 V CA 1.699 64.109 62.300 0.183 0.000 1.048 1111 V CB -0.826 31.003 31.823 0.010 0.000 0.666 1111 V HN 0.444 nan 8.190 nan 0.000 0.456 1112 A N 0.684 123.562 122.820 0.097 0.000 2.178 1112 A HA -0.005 4.297 4.320 -0.029 0.000 0.218 1112 A C 2.239 179.856 177.584 0.054 0.000 1.157 1112 A CA 1.437 53.513 52.037 0.064 0.000 0.689 1112 A CB -0.815 18.199 19.000 0.023 0.000 0.787 1112 A HN 0.550 nan 8.150 nan 0.000 0.465 1113 G N -1.519 107.303 108.800 0.036 0.000 2.572 1113 G HA2 0.092 4.035 3.960 -0.029 0.000 0.216 1113 G HA3 0.092 4.035 3.960 -0.029 0.000 0.216 1113 G C 0.435 175.245 174.900 -0.150 0.000 1.133 1113 G CA -0.056 44.991 45.100 -0.088 0.000 0.791 1113 G HN 0.428 nan 8.290 nan 0.000 0.538 1114 F N 2.381 122.322 119.950 -0.015 0.000 2.666 1114 F HA 0.207 4.713 4.527 -0.034 0.000 0.362 1114 F C 1.948 177.737 175.800 -0.019 0.000 1.190 1114 F CA -0.162 57.831 58.000 -0.011 0.000 1.328 1114 F CB -0.180 38.807 39.000 -0.022 0.000 1.682 1114 F HN -0.087 nan 8.300 nan 0.000 0.623 1115 T N -0.514 114.083 114.554 0.073 0.000 2.684 1115 T HA -0.221 4.112 4.350 -0.029 0.000 0.267 1115 T C 2.049 176.776 174.700 0.044 0.000 1.036 1115 T CA 1.583 63.710 62.100 0.044 0.000 1.148 1115 T CB -0.059 68.814 68.868 0.009 0.000 0.863 1115 T HN 0.374 nan 8.240 nan 0.000 0.436 1116 N N 0.683 119.413 118.700 0.050 0.000 2.173 1116 N HA 0.037 4.760 4.740 -0.029 0.000 0.184 1116 N C 2.271 177.802 175.510 0.036 0.000 1.025 1116 N CA 0.865 53.936 53.050 0.034 0.000 0.852 1116 N CB -0.456 38.049 38.487 0.030 0.000 0.998 1116 N HN 0.230 nan 8.380 nan 0.000 0.427 1117 S N 1.449 117.200 115.700 0.085 0.000 2.368 1117 S HA 0.012 4.464 4.470 -0.029 0.000 0.225 1117 S C 2.157 176.736 174.600 -0.036 0.000 1.030 1117 S CA 0.633 58.858 58.200 0.041 0.000 0.999 1117 S CB -0.258 63.002 63.200 0.101 0.000 0.844 1117 S HN 0.227 nan 8.310 nan 0.000 0.459 1118 L N 1.183 122.405 121.223 -0.002 0.000 2.012 1118 L HA -0.183 4.139 4.340 -0.029 0.000 0.210 1118 L C 2.717 179.560 176.870 -0.045 0.000 1.073 1118 L CA 1.708 56.527 54.840 -0.037 0.000 0.748 1118 L CB -0.536 41.532 42.059 0.014 0.000 0.891 1118 L HN 0.305 nan 8.230 nan 0.000 0.431 1119 R N 0.483 120.966 120.500 -0.028 0.000 2.096 1119 R HA -0.222 4.100 4.340 -0.029 0.000 0.240 1119 R C 2.286 178.538 176.300 -0.080 0.000 1.139 1119 R CA 1.922 57.996 56.100 -0.043 0.000 0.952 1119 R CB -0.276 30.006 30.300 -0.030 0.000 0.854 1119 R HN 0.274 nan 8.270 nan 0.000 0.436 1120 M N 0.533 120.081 119.600 -0.087 0.000 2.159 1120 M HA -0.158 4.305 4.480 -0.029 0.000 0.263 1120 M C 2.308 178.486 176.300 -0.202 0.000 1.063 1120 M CA 1.543 56.764 55.300 -0.132 0.000 1.110 1120 M CB -0.269 32.272 32.600 -0.099 0.000 1.374 1120 M HN 0.212 nan 8.290 nan 0.000 0.411 1121 L N -0.172 120.959 121.223 -0.153 0.000 2.046 1121 L HA -0.241 4.082 4.340 -0.029 0.000 0.208 1121 L C 2.676 179.461 176.870 -0.141 0.000 1.077 1121 L CA 1.488 56.257 54.840 -0.118 0.000 0.747 1121 L CB -0.594 41.398 42.059 -0.112 0.000 0.896 1121 L HN 0.419 nan 8.230 nan 0.000 0.432 1122 Q N -0.238 119.496 119.800 -0.109 0.000 2.230 1122 Q HA -0.182 4.141 4.340 -0.029 0.000 0.202 1122 Q C 1.860 177.766 176.000 -0.157 0.000 0.963 1122 Q CA 0.955 56.707 55.803 -0.085 0.000 0.866 1122 Q CB 0.195 28.907 28.738 -0.043 0.000 0.931 1122 Q HN 0.520 nan 8.270 nan 0.000 0.452 1123 Q N 0.005 119.676 119.800 -0.215 0.000 2.415 1123 Q HA 0.027 4.349 4.340 -0.029 0.000 0.206 1123 Q C -0.425 175.323 176.000 -0.421 0.000 0.946 1123 Q CA 0.128 55.786 55.803 -0.242 0.000 0.951 1123 Q CB 0.400 29.025 28.738 -0.188 0.000 1.026 1123 Q HN 0.214 nan 8.270 nan 0.000 0.510 1124 K N 0.128 120.106 120.400 -0.703 0.000 3.088 1124 K HA -0.218 4.084 4.320 -0.029 0.000 0.273 1124 K C -0.593 175.139 176.600 -1.448 0.000 1.111 1124 K CA 0.651 56.033 56.287 -1.509 0.000 0.803 1124 K CB -1.175 30.825 32.500 -0.834 0.000 1.226 1124 K HN 0.281 nan 8.250 nan 0.000 0.485 1125 R N 0.291 120.297 120.500 -0.823 0.000 4.138 1125 R HA 0.057 4.379 4.340 -0.029 0.000 0.206 1125 R C 0.736 176.858 176.300 -0.296 0.000 1.667 1125 R CA -0.224 55.595 56.100 -0.469 0.000 1.481 1125 R CB -0.355 29.794 30.300 -0.253 0.000 1.388 1125 R HN 0.297 nan 8.270 nan 0.000 0.776 1126 W N 0.534 121.825 121.300 -0.014 0.000 2.318 1126 W HA -0.224 4.418 4.660 -0.030 0.000 0.313 1126 W C 1.342 177.863 176.519 0.003 0.000 1.221 1126 W CA 0.488 57.833 57.345 -0.001 0.000 1.266 1126 W CB -0.113 29.361 29.460 0.023 0.000 1.150 1126 W HN 0.329 nan 8.180 nan 0.000 0.496 1127 D N 0.184 120.705 120.400 0.201 0.000 2.117 1127 D HA -0.147 4.475 4.640 -0.029 0.000 0.198 1127 D C 1.888 178.224 176.300 0.060 0.000 0.982 1127 D CA 1.398 55.469 54.000 0.117 0.000 0.828 1127 D CB -0.534 40.316 40.800 0.083 0.000 0.967 1127 D HN 0.332 nan 8.370 nan 0.000 0.464 1128 E N 0.696 120.909 120.200 0.022 0.000 2.051 1128 E HA -0.128 4.205 4.350 -0.029 0.000 0.192 1128 E C 2.145 178.749 176.600 0.007 0.000 0.991 1128 E CA 0.933 57.332 56.400 -0.002 0.000 0.799 1128 E CB -0.072 29.608 29.700 -0.034 0.000 0.748 1128 E HN 0.169 nan 8.360 nan 0.000 0.449 1129 A N 1.774 124.598 122.820 0.007 0.000 1.917 1129 A HA -0.209 4.094 4.320 -0.029 0.000 0.219 1129 A C 2.429 180.034 177.584 0.034 0.000 1.182 1129 A CA 2.000 54.038 52.037 0.001 0.000 0.633 1129 A CB -0.724 18.262 19.000 -0.023 0.000 0.819 1129 A HN 0.307 nan 8.150 nan 0.000 0.448 1130 A N -0.550 122.314 122.820 0.074 0.000 1.865 1130 A HA -0.053 4.250 4.320 -0.029 0.000 0.217 1130 A C 2.243 179.839 177.584 0.020 0.000 1.191 1130 A CA 1.989 54.074 52.037 0.080 0.000 0.623 1130 A CB -1.128 17.931 19.000 0.098 0.000 0.826 1130 A HN 0.491 nan 8.150 nan 0.000 0.444 1131 V N 0.752 120.670 119.914 0.008 0.000 2.332 1131 V HA -0.281 3.822 4.120 -0.029 0.000 0.248 1131 V C 2.443 178.527 176.094 -0.017 0.000 1.055 1131 V CA 2.393 64.680 62.300 -0.021 0.000 1.038 1131 V CB -1.132 30.686 31.823 -0.009 0.000 0.651 1131 V HN 0.658 nan 8.190 nan 0.000 0.450 1132 N N 0.115 118.826 118.700 0.017 0.000 2.106 1132 N HA -0.078 4.644 4.740 -0.029 0.000 0.188 1132 N C 1.661 177.232 175.510 0.102 0.000 1.029 1132 N CA 1.350 54.431 53.050 0.051 0.000 0.848 1132 N CB -0.355 38.168 38.487 0.060 0.000 1.007 1132 N HN 0.416 nan 8.380 nan 0.000 0.423 1133 L N -0.107 121.183 121.223 0.113 0.000 2.187 1133 L HA -0.101 4.221 4.340 -0.029 0.000 0.213 1133 L C 2.085 179.025 176.870 0.116 0.000 1.100 1133 L CA 1.101 56.065 54.840 0.208 0.000 0.765 1133 L CB -0.392 41.800 42.059 0.221 0.000 0.904 1133 L HN 0.181 nan 8.230 nan 0.000 0.437 1134 A N -0.253 122.501 122.820 -0.111 0.000 2.119 1134 A HA -0.121 4.181 4.320 -0.029 0.000 0.217 1134 A C 2.025 179.435 177.584 -0.291 0.000 1.153 1134 A CA 0.985 52.720 52.037 -0.503 0.000 0.692 1134 A CB -0.198 18.486 19.000 -0.527 0.000 0.799 1134 A HN 0.353 nan 8.150 nan 0.000 0.458 1135 K N 0.900 121.275 120.400 -0.043 0.000 2.417 1135 K HA 0.077 4.379 4.320 -0.029 0.000 0.196 1135 K C 0.554 177.232 176.600 0.130 0.000 1.023 1135 K CA 0.402 56.711 56.287 0.035 0.000 1.122 1135 K CB 0.178 32.700 32.500 0.037 0.000 0.850 1135 K HN 0.555 nan 8.250 nan 0.000 0.521 1136 S N 0.274 116.112 115.700 0.232 0.000 2.632 1136 S HA 0.202 4.654 4.470 -0.029 0.000 0.267 1136 S C 0.981 175.762 174.600 0.302 0.000 1.276 1136 S CA -0.735 57.670 58.200 0.343 0.000 0.998 1136 S CB 1.848 65.466 63.200 0.696 0.000 0.953 1136 S HN 0.097 nan 8.310 nan 0.000 0.547 1137 R N -0.016 120.647 120.500 0.271 0.000 2.153 1137 R HA 0.049 4.372 4.340 -0.029 0.000 0.218 1137 R C 1.802 178.277 176.300 0.292 0.000 1.072 1137 R CA 1.283 57.514 56.100 0.219 0.000 0.990 1137 R CB -0.955 29.436 30.300 0.152 0.000 0.889 1137 R HN 0.880 nan 8.270 nan 0.000 0.452 1138 W N -0.040 121.405 121.300 0.241 0.000 2.355 1138 W HA -0.234 4.413 4.660 -0.022 0.000 0.309 1138 W C 1.642 178.286 176.519 0.208 0.000 1.206 1138 W CA 1.656 59.147 57.345 0.243 0.000 1.284 1138 W CB -0.954 28.719 29.460 0.355 0.000 1.145 1138 W HN 0.207 nan 8.180 nan 0.000 0.502 1139 Y N 1.881 122.043 120.300 -0.230 0.000 2.181 1139 Y HA -0.251 4.304 4.550 0.007 0.000 0.288 1139 Y C 2.465 178.226 175.900 -0.231 0.000 1.146 1139 Y CA 2.615 60.431 58.100 -0.473 0.000 1.164 1139 Y CB -1.155 37.141 38.460 -0.273 0.000 0.982 1139 Y HN 0.089 nan 8.280 nan 0.000 0.515 1140 N N 0.114 118.826 118.700 0.019 0.000 2.272 1140 N HA -0.230 4.492 4.740 -0.029 0.000 0.185 1140 N C 1.860 177.308 175.510 -0.103 0.000 1.014 1140 N CA 1.676 54.711 53.050 -0.025 0.000 0.870 1140 N CB -0.245 38.288 38.487 0.077 0.000 0.975 1140 N HN 0.630 nan 8.380 nan 0.000 0.433 1141 Q N -1.179 118.573 119.800 -0.080 0.000 2.089 1141 Q HA 0.028 4.351 4.340 -0.029 0.000 0.195 1141 Q C -0.283 175.650 176.000 -0.111 0.000 0.963 1141 Q CA 1.254 57.029 55.803 -0.046 0.000 0.834 1141 Q CB 0.276 29.047 28.738 0.055 0.000 0.906 1141 Q HN 0.415 nan 8.270 nan 0.000 0.452 1142 T N -2.442 111.987 114.554 -0.208 0.000 3.327 1142 T HA 0.380 4.712 4.350 -0.029 0.000 0.373 1142 T C -2.573 171.868 174.700 -0.431 0.000 1.589 1142 T CA -1.779 60.186 62.100 -0.226 0.000 1.497 1142 T CB 1.249 70.068 68.868 -0.081 0.000 1.032 1142 T HN -0.001 nan 8.240 nan 0.000 0.640 1143 P HA -0.074 nan 4.420 nan 0.000 0.216 1143 P C 1.520 178.536 177.300 -0.472 0.000 1.150 1143 P CA 0.929 63.543 63.100 -0.810 0.000 0.837 1143 P CB 0.169 31.490 31.700 -0.631 0.000 0.786 1144 N N -0.665 117.869 118.700 -0.278 0.000 2.106 1144 N HA -0.136 4.586 4.740 -0.029 0.000 0.188 1144 N C 1.888 177.315 175.510 -0.139 0.000 1.029 1144 N CA 1.047 53.994 53.050 -0.171 0.000 0.848 1144 N CB -0.676 37.737 38.487 -0.123 0.000 1.007 1144 N HN 0.128 nan 8.380 nan 0.000 0.423 1145 R N 0.923 121.357 120.500 -0.110 0.000 2.066 1145 R HA 0.008 4.331 4.340 -0.029 0.000 0.232 1145 R C 2.072 178.379 176.300 0.012 0.000 1.131 1145 R CA 1.434 57.529 56.100 -0.008 0.000 0.955 1145 R CB -0.244 30.105 30.300 0.082 0.000 0.851 1145 R HN 0.165 nan 8.270 nan 0.000 0.432 1146 A N 1.209 123.920 122.820 -0.182 0.000 1.933 1146 A HA -0.202 4.100 4.320 -0.029 0.000 0.218 1146 A C 2.098 179.646 177.584 -0.061 0.000 1.175 1146 A CA 1.684 53.498 52.037 -0.371 0.000 0.628 1146 A CB -0.503 17.778 19.000 -1.199 0.000 0.814 1146 A HN 0.420 nan 8.150 nan 0.000 0.444 1147 K N -0.516 119.864 120.400 -0.033 0.000 2.097 1147 K HA -0.132 4.171 4.320 -0.029 0.000 0.206 1147 K C 2.268 178.880 176.600 0.020 0.000 1.049 1147 K CA 1.303 57.636 56.287 0.076 0.000 0.933 1147 K CB -0.134 32.396 32.500 0.051 0.000 0.717 1147 K HN 0.455 nan 8.250 nan 0.000 0.442 1148 R N -0.108 120.363 120.500 -0.048 0.000 2.073 1148 R HA -0.056 4.266 4.340 -0.029 0.000 0.229 1148 R C 2.266 178.582 176.300 0.027 0.000 1.120 1148 R CA 1.241 57.256 56.100 -0.142 0.000 0.967 1148 R CB -0.230 29.807 30.300 -0.438 0.000 0.862 1148 R HN 0.040 nan 8.270 nan 0.000 0.436 1149 V N 1.564 121.572 119.914 0.157 0.000 2.343 1149 V HA -0.249 3.854 4.120 -0.029 0.000 0.247 1149 V C 2.264 178.426 176.094 0.114 0.000 1.051 1149 V CA 1.724 64.138 62.300 0.189 0.000 1.036 1149 V CB -0.396 31.666 31.823 0.397 0.000 0.654 1149 V HN 0.287 nan 8.190 nan 0.000 0.451 1150 I N -0.069 120.653 120.570 0.254 0.000 2.252 1150 I HA -0.218 3.935 4.170 -0.029 0.000 0.245 1150 I C 2.525 178.753 176.117 0.185 0.000 1.102 1150 I CA 1.747 63.236 61.300 0.316 0.000 1.385 1150 I CB -0.684 37.460 38.000 0.239 0.000 1.064 1150 I HN 0.302 nan 8.210 nan 0.000 0.414 1151 T N 0.137 114.744 114.554 0.089 0.000 2.803 1151 T HA -0.160 4.173 4.350 -0.029 0.000 0.269 1151 T C 1.857 176.552 174.700 -0.008 0.000 1.052 1151 T CA 1.934 64.056 62.100 0.037 0.000 1.136 1151 T CB -0.315 68.556 68.868 0.005 0.000 0.864 1151 T HN 0.391 nan 8.240 nan 0.000 0.467 1152 T N 1.483 116.010 114.554 -0.046 0.000 2.821 1152 T HA 0.012 4.345 4.350 -0.029 0.000 0.267 1152 T C 1.504 176.051 174.700 -0.254 0.000 1.046 1152 T CA 0.791 62.781 62.100 -0.184 0.000 1.139 1152 T CB -0.372 68.357 68.868 -0.232 0.000 0.871 1152 T HN 0.270 nan 8.240 nan 0.000 0.454 1153 F N 1.622 121.523 119.950 -0.081 0.000 2.146 1153 F HA 0.079 4.587 4.527 -0.031 0.000 0.298 1153 F C 2.552 178.232 175.800 -0.201 0.000 1.096 1153 F CA 0.492 58.419 58.000 -0.121 0.000 1.275 1153 F CB -0.415 38.610 39.000 0.041 0.000 1.008 1153 F HN -0.049 nan 8.300 nan 0.000 0.480 1154 R N -0.171 120.394 120.500 0.108 0.000 2.070 1154 R HA -0.143 4.179 4.340 -0.029 0.000 0.233 1154 R C 2.263 178.484 176.300 -0.132 0.000 1.137 1154 R CA 2.307 58.440 56.100 0.055 0.000 0.945 1154 R CB -1.319 29.027 30.300 0.077 0.000 0.845 1154 R HN 0.414 nan 8.270 nan 0.000 0.430 1155 T N -4.086 110.376 114.554 -0.153 0.000 3.031 1155 T HA 0.140 4.473 4.350 -0.029 0.000 0.254 1155 T C 1.382 175.914 174.700 -0.282 0.000 1.060 1155 T CA 0.857 62.852 62.100 -0.175 0.000 1.135 1155 T CB 0.371 69.177 68.868 -0.103 0.000 0.896 1155 T HN 0.429 nan 8.240 nan 0.000 0.472 1156 G N 1.765 110.355 108.800 -0.349 0.000 2.147 1156 G HA2 -0.188 3.754 3.960 -0.029 0.000 0.244 1156 G HA3 -0.188 3.754 3.960 -0.029 0.000 0.244 1156 G C 0.221 174.888 174.900 -0.389 0.000 1.005 1156 G CA 0.740 45.593 45.100 -0.411 0.000 0.713 1156 G HN 1.223 nan 8.290 nan 0.000 0.515 1157 T N -4.541 109.808 114.554 -0.342 0.000 2.883 1157 T HA 0.607 4.939 4.350 -0.029 0.000 0.284 1157 T C 0.434 174.926 174.700 -0.345 0.000 1.041 1157 T CA -0.420 61.489 62.100 -0.318 0.000 1.007 1157 T CB 1.263 70.066 68.868 -0.108 0.000 1.220 1157 T HN 0.321 nan 8.240 nan 0.000 0.552 1158 W N 0.260 121.573 121.300 0.021 0.000 3.325 1158 W HA 0.274 4.913 4.660 -0.035 0.000 0.370 1158 W C 0.934 177.526 176.519 0.122 0.000 1.169 1158 W CA -0.560 56.833 57.345 0.080 0.000 1.874 1158 W CB -0.174 29.309 29.460 0.038 0.000 1.076 1158 W HN 0.716 nan 8.180 nan 0.000 0.684 1159 D N 1.311 121.835 120.400 0.206 0.000 2.154 1159 D HA -0.283 4.340 4.640 -0.029 0.000 0.190 1159 D C 2.289 178.659 176.300 0.116 0.000 1.003 1159 D CA 2.330 56.409 54.000 0.131 0.000 0.849 1159 D CB -0.763 40.069 40.800 0.054 0.000 0.942 1159 D HN 0.147 nan 8.370 nan 0.000 0.446 1160 A N -0.566 122.304 122.820 0.083 0.000 2.024 1160 A HA -0.156 4.147 4.320 -0.029 0.000 0.220 1160 A C 0.826 178.315 177.584 -0.158 0.000 1.164 1160 A CA 1.126 53.117 52.037 -0.076 0.000 0.643 1160 A CB -0.608 18.279 19.000 -0.189 0.000 0.806 1160 A HN 0.259 nan 8.150 nan 0.000 0.451 1161 Y N 0.000 120.359 120.300 0.099 0.000 2.660 1161 Y HA 0.000 4.532 4.550 -0.030 0.000 0.201 1161 Y CA 0.000 58.147 58.100 0.079 0.000 1.940 1161 Y CB 0.000 38.533 38.460 0.123 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758